[ CAS No. 76240-49-8 ] {[proInfo.proName]}

Name: 76240-49-8|6-Bromophthalazine-1,4-diol|95%
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SKU: A375978
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3d Animation Molecule Structure of 76240-49-8

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Quality Control of [ 76240-49-8 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 76240-49-8 ]

SDS Specification

Alternatived Products of [ 76240-49-8 ]

Product Details of [ 76240-49-8 ]

CAS No. :	76240-49-8	MDL No. :	MFCD00094997
Formula :	C₈H₅BrN₂O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	UFWQSROUAIPXQJ-UHFFFAOYSA-N
M.W :	241.04	Pubchem ID :	11379478
Synonyms :

Calculated chemistry of [ 76240-49-8 ] Expand+

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	10
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	51.28
TPSA :	66.24 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.53 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.76
Log Po/w (XLOGP3) :	1.74
Log Po/w (WLOGP) :	1.8
Log Po/w (MLOGP) :	2.04
Log Po/w (SILICOS-IT) :	1.62
Consensus Log Po/w :	1.79

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.0
Solubility :	0.241 mg/ml ; 0.001 mol/l
Class :	Soluble
Log S (Ali) :	-2.75
Solubility :	0.431 mg/ml ; 0.00179 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.04
Solubility :	0.221 mg/ml ; 0.000918 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.09

Safety of [ 76240-49-8 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 76240-49-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 76240-49-8 ]
Downstream synthetic route of [ 76240-49-8 ]

[ 76240-49-8 ] Synthesis Path-Upstream 1~1

1
[ 86-90-8 ]
[ 76240-49-8 ]

Yield	Reaction Conditions	Operation in experiment
100%	Stage #1: at 125℃; for 1 h; Stage #2: at 125℃; for 0.5 h;	A stirred solution of 4-bromophthalic anhydride (50. g, 0.22 mol) in acetic acid (150 mL) was heated at 125 °C for 1 h. The mixture was then cooled to ambient temperature and hydrazine hydrate (1 1 .25 mL, 0.23 mol) was added dropwise over 5 min, resulting in the formation of a thick white solid, further acetic acid (50 mL) was added and the mixture was heated at 125 °C for 30 min. The mixture was cooled and diluted with acetic acid (200 mL) before being filtered. The filter cake was washed with acetic acid (3 x 100 mL) and dried under vacuum. The cake was then dissolved in 5percent (w/w) NaOH solution (250 mL), the suspension was acidified with acetic acid (30 mL) to give a thick white precipitate. The mixture was filtered and the filter cake washed sequentially with water (2 x 200 mL) and methanol (2 x 200 mL), and then dried under vacuum at 40 °C to give a white solid, 6- bromo-2,3-dihydrophthalazine-1 ,4-dione (55 g, 0.23 mol, quant.).¹ H NMR (300MHz, DMSO-d₆) δ = 8.16 (dd, J = 0.7, 2.0 Hz, 1 H), 7.98 (dd, J = 0.7, 8.4 Hz, 1 H), 7.93 (d, J = 8.4 Hz, 1 H), 1 .84 (s, 2H)
72.3%	With hydrazine In isopropyl alcohol for 4 h; Heating / reflux	Example 48 and 49: Synthesis of 6-[(2,4-Dichlorophenyl)methyl]amino}-4-chIoro- IH-phthalazin-l-one and T-IKZ^-dichloropheny^methyllaminoJ^-chloro-lH- phthalazin-1-one; <n="67"/>6-Bromo-2,3-dihydro-phthalazine-l,4-dione; A mixture of 5-Bromo-isobenzofuran-l,3-dione (6.Og, 26.4mmol) and hydrazine hydrate (1.5ImL, 32.4mmol) in isopropanol (12OmL) was heated at reflux for 4h. The mixture was allowed to cool and the precipitate was filtered and washed with water (50 mL). The filter cake was dried to afford the title compound (4.6g, 72.3percent) as a white solid. m/z (M+l) = 241.05

Reference： [1] Patent: WO2016/92326, 2016, A1, . Location in patent: Paragraph 00326
[2] Angewandte Chemie - International Edition, 2007, vol. 46, # 10, p. 1684 - 1687
[3] Patent: WO2008/61108, 2008, A2, . Location in patent: Page/Page column 65-66
[4] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1980, p. 1834 - 1840
[5] Patent: WO2004/99177, 2004, A1, . Location in patent: Page 19-20
[6] Patent: US2010/183551, 2010, A1,

[ 76240-49-8 ] Synthesis Path-Downstream 1~2

1
[ 86-90-8 ]
[ 76240-49-8 ]

Yield	Reaction Conditions	Operation in experiment
100%		A stirred solution of <strong>[86-90-8]4-bromophthalic anhydride</strong> (50. g, 0.22 mol) in acetic acid (150 mL) was heated at 125 C for 1 h. The mixture was then cooled to ambient temperature and hydrazine hydrate (1 1 .25 mL, 0.23 mol) was added dropwise over 5 min, resulting in the formation of a thick white solid, further acetic acid (50 mL) was added and the mixture was heated at 125 C for 30 min. The mixture was cooled and diluted with acetic acid (200 mL) before being filtered. The filter cake was washed with acetic acid (3 x 100 mL) and dried under vacuum. The cake was then dissolved in 5% (w/w) NaOH solution (250 mL), the suspension was acidified with acetic acid (30 mL) to give a thick white precipitate. The mixture was filtered and the filter cake washed sequentially with water (2 x 200 mL) and methanol (2 x 200 mL), and then dried under vacuum at 40 C to give a white solid, 6- bromo-2,3-dihydrophthalazine-1 ,4-dione (55 g, 0.23 mol, quant.).1 H NMR (300MHz, DMSO-d6) delta = 8.16 (dd, J = 0.7, 2.0 Hz, 1 H), 7.98 (dd, J = 0.7, 8.4 Hz, 1 H), 7.93 (d, J = 8.4 Hz, 1 H), 1 .84 (s, 2H)
72.3%	With hydrazine; In isopropyl alcohol; for 4h;Heating / reflux;	Example 48 and 49: Synthesis of 6-[(2,4-Dichlorophenyl)methyl]amino}-4-chIoro- IH-phthalazin-l-one and T-IKZ^-dichloropheny^methyllaminoJ^-chloro-lH- phthalazin-1-one; <n="67"/>6-Bromo-2,3-dihydro-phthalazine-l,4-dione; A mixture of 5-Bromo-isobenzofuran-l,3-dione (6.Og, 26.4mmol) and hydrazine hydrate (1.5ImL, 32.4mmol) in isopropanol (12OmL) was heated at reflux for 4h. The mixture was allowed to cool and the precipitate was filtered and washed with water (50 mL). The filter cake was dried to afford the title compound (4.6g, 72.3%) as a white solid. m/z (M+l) = 241.05
		5-Bromo-1, 3-isobenzofurandione (14. 8 g, 65.4 mmol) was suspended in acetic acid (150 mL), and treated with hydrazine hydrate at (10 mL) at 80 overnight. The mixture was cooled, filtered, and the residue was washed with methanol. The residue was triturated with 4M NAOH (ca. 250 mL), and filtered. The pale yellow filtrate was acidified with conc. HCL, and filtered. The residue was azeotroped with toluene (x4), and suspended in POC1s (75 mL). N, N-DIISOPROPYLETHYLAMINE (10 mL) was slowly added and the mixture was heated to reflux for 3 h and then concentrated under reduced pressure, suspended in chloroform and filtered. The filtrate was poured onto ice, and the organic phase was washed with sodium bicarbonate solution, followed by brine. The organic phase was dried (sodium sulfate) and filtered through a pad of silica, eluting with chloroform, which after evaporation gave an off-white solid (6.5 g, 36%)

With hydrogenchloride; hydrazine hydrate; In ethanol;

Step 1: 6-bromo-2,3-dihydrophthalazine-1,4-dione Hydrazine monohydrate (2 ml, 33.0 mmol) was added to a suspension of <strong>[86-90-8]4-bromophthalic anhydride</strong> (7.5 g, 33.0 mmol) in ethanol (70 ml) and the resulting mixture was stirred at 90 C. for 24 hr. The volume of the reaction mixture was then reduced to half volume under reduced pressure and the residue was treated 0.5 N aq. HCl (20 mL). The title compound precipitated as a white solid and was collected by filtration (4.86 g, 61%); LRMS ESI+ (M+H)+ 241.

Reference： [1]Patent: WO2016/92326,2016,A1 .Location in patent: Paragraph 00326
[2]Journal of Medicinal Chemistry,2018,vol. 61,p. 10767 - 10792
[3]Angewandte Chemie - International Edition,2007,vol. 46,p. 1684 - 1687
[4]Patent: WO2008/61108,2008,A2 .Location in patent: Page/Page column 65-66
[5]Journal of the Chemical Society. Perkin transactions I,1980,p. 1834 - 1840
[6]Patent: WO2004/99177,2004,A1 .Location in patent: Page 19-20
[7]Patent: US2010/183551,2010,A1

2
[ 76240-49-8 ]
[ 240400-95-7 ]

Yield	Reaction Conditions	Operation in experiment
76%	With trichlorophosphate In neat (no solvent) for 3h; Reflux; Inert atmosphere;
73%	With sodium hydrogencarbonate In 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran; trichlorophosphate	41.2 Step 2: Step 2: 6-bromo-1,4-dichlorophthalazine A solution of 6-bromo-2,3-dihydrophthalazine-1,4-dione from Step 1 (4.86 g, 20.16 mmol) in POCl3 (100 ml) was heated at 120° C. for 16 hr. POCl3 was then removed under reduced pressure and the residue was dissolved in DCM and cold water. Solid NaHCO3 was carefully added till pH=11 was reached, the aq. layer was separated and further extracted with DCM. The combined organic layers were washed with brine, dried (Na2SO4) and concentrated under reduced pressure to give the title compound as a pale yellow solid (4.13 g, 73%); LRMS ESI+ (M+H)+ 279.
	With N-ethyl-N,N-diisopropylamine; trichlorophosphate for 3h; Heating / reflux;	5-Bromo-1, 3-isobenzofurandione (14. 8 g, 65.4 mmol) was suspended in acetic acid (150 mL), and treated with hydrazine hydrate at (10 mL) at 80 ° overnight. The mixture was cooled, filtered, and the residue was washed with methanol. The residue was triturated with 4M NAOH (ca. 250 mL), and filtered. The pale yellow filtrate was acidified with conc. HCL, and filtered. The residue was azeotroped with toluene (x4), and suspended in POC1s (75 mL). N, N-DIISOPROPYLETHYLAMINE (10 mL) was slowly added and the mixture was heated to reflux for 3 h and then concentrated under reduced pressure, suspended in chloroform and filtered. The filtrate was poured onto ice, and the organic phase was washed with sodium bicarbonate solution, followed by brine. The organic phase was dried (sodium sulfate) and filtered through a pad of silica, eluting with chloroform, which after evaporation gave an off-white solid (6.5 g, 36%)

	With trichlorophosphate for 3h; Inert atmosphere; Reflux;	General Procedure II (GP II) for the Preparation of 1,4-Dichlorophthalazines (S3) General procedure: A stirred solution of 2,3-dihydrophthalazine-1,4-dione (S2, 1.0 equiv) and POCl3 (4.0 equiv) was refluxed in an oil bath under Ar for 3 hours. Then, the reaction mixture was cooled to room temperature and poured into crushed ice. After filtration of the precipitate through filter paper, the filter cake was washed with H2O until the pH of filtrate was neutral. The residue was dried under reduced pressure to give 1,4-dichlorophthalazine (S3). The crude material was used for the next step without further purification.
	With trichlorophosphate at 120℃; for 12h;	2 Step 2: A solution of 6-bromo-2,3-dihydrophthalazine-1,4-dione 2a (20.0 g, crude) in phosphorus oxychloride (330 g, 2.15 mol, 200 mL) was stirred at 120° C. for 12 hours. After such time the reaction mixture was concentrated under reduced pressure and the residue dissolved in dichloromethane (150 mL) and added dropwise to ice-water. The mixture was then extracted with dichloromethane (300 mL×3) and the combined organic layers were washed with sodium bicarbonate aqueous solution (200 mL×5), brine (200 mL×2), dried over sodium sulfate, filtered and concentrated under reduced pressure to give 6-bromo-1,4-dichloro-phthalazine 3a (14.5 g, crude) as a yellow solid. This solid was then used in the next step without further purification. 1H NMR (400 MHz, CDCl3) δ=8.49 (d, J=1.2 Hz, 1H), 8.23-8.15 (m, 2H).
	With N-ethyl-N,N-diisopropylamine; trichlorophosphate at 120℃; for 12h;	9-1.A [0504] Step A: To a solution of 6-bromo-2,3-dihydrophthalazine-1,4-dione (3.00 g, 12.4 mmol, 1.00 eq .) in phosphorus oxychloride (40.0 mL) was added N, A-di i sopropyl ethyl amine (4.02 g, 31,1 mmol, 5.42 mL, 2.50 eq.) dropwise at 25 °C. The reaction was then stirred at 120 °C for 12 hours. The mixture was cooled to 25 °C and concentrated in vacuo to remove most of the phosphorus oxychloride and give a residue. The residue was poured into ice water (100 mL), and the resulting aqueous solution was adjusted to pH = 7 with saturated sodium bicarbonate aqueous solution and then extracted with dichloromethane (50.0 mL x 2). The combined organic phases were washed with brine (30.0 mL x 2), dried over anhydrous sodium sulfate, filtered, and concentrated under vacuum to give 6-bromo-1,4-dichlorophthalazine (1.20 g, 4.32 mmol, crude) as a yellow solid without further purification. LCMS [M+3]+: 279.0.
	With N-ethyl-N,N-diisopropylamine; trichlorophosphate at 25 - 120℃; for 12h;	1-1.A Step A To a solution of 6-bromo-2,3-dihydrophthalazine-1,4-dione (3.00 g, 12.4 mmol, 1.00 eq.) in phosphorus oxychloride (40.0 mL) was added N, N-diisopropylethylamine (4.02 g, 31.1 mmol, 5.42 mL, 2.50 eq.) dropwise at 25 °C. The reaction was then stirred at 120 °C for 12 hours. The mixture was cooled to 25 °C and concentrated in vacuo to remove most of the phosphorus oxychloride and give a residue. The residue was poured into ice water (100 mL), and the resulting aqueous solution was adjusted to pH = 7 with saturated sodium bicarbonate aqueous solution and then extracted with dichloromethane (50.0 mL × 2). The combined organic phases were washed with brine (30.0 mL × 2), dried over anhydrous sodium sulfate, filtered, and concentrated under vacuum to give 6-bromo-1,4-dichlorophthalazine (1.20 g, 4.32 mmol, crude) as a yellow solid without further purification. LCMS [M+3]+: 279.0.
	With N-ethyl-N,N-diisopropylamine; trichlorophosphate at 25 - 120℃; for 12h;	1-1.A Step A To a solution of 6-bromo-2,3-dihydrophthalazine-1,4-dione (3.00 g, 12.4 mmol, 1.00 eq.) in phosphorus oxychloride (40.0 mL) was added N, N-diisopropylethylamine (4.02 g, 31.1 mmol, 5.42 mL, 2.50 eq.) dropwise at 25 °C. The reaction was then stirred at 120 °C for 12 hours. The mixture was cooled to 25 °C and concentrated in vacuo to remove most of the phosphorus oxychloride and give a residue. The residue was poured into ice water (100 mL), and the resulting aqueous solution was adjusted to pH = 7 with saturated sodium bicarbonate aqueous solution and then extracted with dichloromethane (50.0 mL × 2). The combined organic phases were washed with brine (30.0 mL × 2), dried over anhydrous sodium sulfate, filtered, and concentrated under vacuum to give 6-bromo-1,4-dichlorophthalazine (1.20 g, 4.32 mmol, crude) as a yellow solid without further purification. LCMS [M+3]+: 279.0.

Reference： [1]Im, Jeong Kyun; Jeong, Ilju; Yang, Byeongdo; Moon, Hyeon; Choi, Jun-Ho; Chung, Won-Jin [Synthesis, 2021, vol. 53, # 10, p. 1760 - 1770]
[2]Current Patent Assignee: MERCK & CO INC - US2010/183551, 2010, A1
[3]Current Patent Assignee: MERCK & CO INC - WO2004/99177, 2004, A1 Location in patent: Page 19-20
[4]Im, Jeong Kyun; Yang, ByeongDo; Jeong, Ilju; Choi, Jun-Ho; Chung, Won-jin [Tetrahedron Letters, 2020, vol. 61, # 26]
[5]Current Patent Assignee: MIRATI THERAPEUTICS, INC. - US2021/78994, 2021, A1 Location in patent: Paragraph 0189; 0191
[6]Current Patent Assignee: MIRATI THERAPEUTICS, INC. - WO2021/127429, 2021, A1 Location in patent: Paragraph 0504
[7]Current Patent Assignee: MIRATI THERAPEUTICS, INC. - WO2022/26465, 2022, A1 Location in patent: Paragraph 0213
[8]Current Patent Assignee: MIRATI THERAPEUTICS, INC. - WO2022/26465, 2022, A1 Location in patent: Paragraph 0213

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Technical Information

• Acid-Catalyzed α -Halogenation of Ketones • Add Hydrogen Cyanide to Aldehydes and Ketones to Produce Alcohols • Addition of a Hydrogen Halide to an Internal Alkyne • Alcohol Syntheses from Aldehydes, Ketones and Organometallics • Alcohols are Weakly Basic • Alcohols as Acids • Alcohols Convert Acyl Chlorides into Esters • Alcohols from Haloalkanes by Acetate Substitution-Hydrolysis • Alcohols React with PX3 • Alcoholysis of Anhydrides • Aldehydes and Ketones Form Hemiacetals Reversibly • Aldol Addition • Alkene Hydration • Alkene Hydration • Alkyl Halide Occurrence • Alkylation of an Alkynyl Anion • An Alkane are Prepared from an Haloalkane • Appel Reaction • Base-Catalyzed Hydration of α,β -Unsaturated Aldehydes and Ketones • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Carboxylic Acids React with Alcohols to Form Esters • Chloroalkane Synthesis with SOCI2 • Chromium Reagents for Alcohol Oxidation • Chugaev Reaction • Claisen Condensations Produce β-Dicarbonyl Compounds • Claisen Condensations Produce β-Dicarbonyl Compounds • Convert Esters into Aldehydes Using a Milder Reducing Agent • Convert Haloalkanes into Alcohols by SN2 • Corey-Kim Oxidation • Decarboxylation of 3-Ketoacids Yields Ketones • Decomposition of Lithium Aluminum Hydride by Protic Solvents • Dess-Martin Oxidation • Esters Are Reduced by LiAlH4 to Give Alcohols • Esters Hydrolyze to Carboxylic Acids and Alcohols • Ether Synthesis by Oxymercuration-Demercuration • Ethers Synthesis from Alcohols with Strong Acids • Friedel-Crafts Alkylation of Benzene with Haloalkanes • Friedel-Crafts Alkylations Using Alcohols • Geminal Diols and Acetals Can Be Hydrolyzed to Carbonyl Compounds • General Reactivity • Grignard Reaction • Grignard Reagents Transform Esters into Alcohols • Grignard Reagents Transform Esters into Alcohols • Haloalcohol Formation from an Alkene Through Electrophilic Addition • Halogen and Alcohols Add to Alkenes by Electrophilic Attack • Halogen and Alcohols Add to Alkenes by Electrophilic Attack • Halogenation of Alkenes • Hemiaminal Formation from Amines and Aldehydes or Ketones • Hemiaminal Formation from Amines and Aldehydes or Ketones • HIO4 Oxidatively Degrades Vicinal Diols to Give Carbonyl Derivatives • Hiyama Cross-Coupling Reaction • Hydration of the Carbonyl Group • Hydride Reductions • Hydride Reductions of Aldehydes and Ketones to Alcohols • Hydride Reductions of Aldehydes and Ketones to Alcohols • Hydroboration-Oxidation • Hydroboration-Oxidation • Hydrolysis of Haloalkanes • Jones Oxidation • Ketones Undergo Mixed Claisen Reactions to Form β-Dicarbonyl Compounds • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Martin's Sulfurane Dehydrating Reagent • Methylation of Ammonia • Methylation of Ammonia • Mitsunobu Reaction • Moffatt Oxidation • Osmium Tetroxide Reacts with Alkenes to Give Vicinal Diols • Osmium TetroxideReacts with Alkenes to Give Vicinal Diols • Oxidation of Alcohols by DMSO • Oxymercuration-Demercuration • Preparation of Alcohols • Preparation of Alkenes by Dehydration of Alcohols • Preparation of Alkenes by Dehydration of Alcohols • Preparation of Alkoxides with Alkyllithium • Preparation of Amines • Primary Ether Cleavage with Strong Nucleophilic Acids • Reactions of Alcohols • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Dihalides • Reactions with Organometallic Reagents • Reduction of an Ester to an Alcohol • Reduction of Carboxylic Acids by LiAlH4 • Reduction of Carboxylic Acids by Lithium Aluminum Hydride • Reduction of Carboxylic Acids by Lithium Aluminum Hydride • Ring Opening of an Oxacyclopropane by Lithium Aluminum Hydride • Ritter Reaction • Sharpless Olefin Synthesis • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling • Swern Oxidation • Synthesis of Alcohols from Tertiary Ethers • Synthesis of an Alkyl Sulfonate • The Nucleophilic Opening of Oxacyclopropanes • Thiazolium Salt Catalysis in Aldehyde Coupling • Thiazolium Salts Catalyze Aldehyde Coupling • Thiazolium Salts Catalyze Aldehyde Coupling • Transesterification • Use 1,3-dithiane to Prepare of α-Hydroxyketones • Vicinal Anti Dihydroxylation of Alkenes • Williamson Ether Syntheses

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P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	Inquiry	{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price) ]}	{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate,item.pr_is_large_size_no_price) ]}	{[ item.pr_usastock ]}		{[ item.pr_chinastock ]}	{[ item.pr_remark ]}

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 76240-49-8 ] {[proInfo.proName]}

Quality Control of [ 76240-49-8 ]

Related Doc. of [ 76240-49-8 ]

Product Details of [ 76240-49-8 ]

Calculated chemistry of [ 76240-49-8 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 76240-49-8 ]

Application In Synthesis of [ 76240-49-8 ]

[ 76240-49-8 ] Synthesis Path-Upstream 1~1

[ 76240-49-8 ] Synthesis Path-Downstream 1~2

Technical Information

Related Functional Groups of [ 76240-49-8 ]

Bromides

Alcohols

Related Parent Nucleus of [ 76240-49-8 ]

Phthalazines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

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[ 76240-49-8 ]

Related Parent Nucleus of
[ 76240-49-8 ]