[ CAS No. 85977-52-2 ] {[proInfo.proName]}

Name: 85977-52-2|(S)-1,2,3,4-Tetrahydro-1-naphthoic acid|98%
Brand: Ambeed
SKU: A418479
Price: 5.0 USD
Availability: InStock
Rating: 92 (26 reviews)

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

DV 2D 3D

3d Animation Molecule Structure of 85977-52-2

Structure of 85977-52-2 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

For Research Only 120K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 85977-52-2 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 85977-52-2 ]

SDS Specification

Alternatived Products of [ 85977-52-2 ]

Product Details of [ 85977-52-2 ]

CAS No. :	85977-52-2	MDL No. :	MFCD07368365
Formula :	C₁₁H₁₂O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	VDLWTJCSPSUGOA-JTQLQIEISA-N
M.W :	176.21	Pubchem ID :	24820460
Synonyms :

Calculated chemistry of [ 85977-52-2 ] Expand+

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.36
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	50.45
TPSA :	37.3 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.71 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.65
Log Po/w (XLOGP3) :	2.35
Log Po/w (WLOGP) :	2.19
Log Po/w (MLOGP) :	2.18
Log Po/w (SILICOS-IT) :	2.28
Consensus Log Po/w :	2.13

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-2.69
Solubility :	0.361 mg/ml ; 0.00205 mol/l
Class :	Soluble
Log S (Ali) :	-2.77
Solubility :	0.297 mg/ml ; 0.00169 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.65
Solubility :	0.398 mg/ml ; 0.00226 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.34

Safety of [ 85977-52-2 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H319	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 85977-52-2 ]

* 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 [ 85977-52-2 ]
Downstream synthetic route of [ 85977-52-2 ]

[ 85977-52-2 ] Synthesis Path-Upstream 1~3

1
[ 1914-65-4 ]
[ 85977-52-2 ]

Yield	Reaction Conditions	Operation in experiment
43.6%	With quinine In ethanol at 0 - 50℃; for 0.5 h;	15.6 g, 0.1 mol of 1,2,3,4-tetrahydronaphthoic acid and 29.8 g, 0.1 mol of quinine were added to 158 ml of 50 V / Vpercent ethanol, stirred at 50 ° C for 30 minutes to dissolve the solution, TLC detection The reaction is complete, PE: EA = 1:2, and the temperature is lowered to below 0 °C for overnight, crystallization, suction filtration, drying, and then adding 90 ml of ethanol to refine, crystallization at 0 ° C, suction filtration, drying, adding 55 ml1 mol / L hydrochloric acid and 100 ml of ethyl acetate, liquid separation, drying, filtration, concentration, the residue was recrystallized from n-hexane to give(S)-1,2,3,4-tetrahydronaphthoic acid white solid 7.21g,The yield was 43.6percent,

Reference： [1] Patent: CN108084176, 2018, A, . Location in patent: Paragraph 0093; 0102; 0103; 0104
[2] Arkiv foer Kemi, 1958, vol. 12, p. 161,165
[3] Patent: CN107382697, 2017, A,

2
[ 86-55-5 ]
[ 85977-52-2 ]

Reference： [1] Patent: CN107417525, 2017, A,

3
[ 3123-46-4 ]
[ 85977-52-2 ]

Reference： [1] Arkiv foer Kemi, 1958, vol. 12, p. 161,165

[ 85977-52-2 ] Synthesis Path-Downstream 1~9

1
[ 1914-65-4 ]
[ 85977-52-2 ]

Yield	Reaction Conditions	Operation in experiment
43.6%	With quinine; In ethanol; at 0 - 50℃; for 0.5h;	15.6 g, 0.1 mol of 1,2,3,4-tetrahydronaphthoic acid and 29.8 g, 0.1 mol of quinine were added to 158 ml of 50 V / V% ethanol, stirred at 50 C for 30 minutes to dissolve the solution, TLC detection The reaction is complete, PE: EA = 1:2, and the temperature is lowered to below 0 C for overnight, crystallization, suction filtration, drying, and then adding 90 ml of ethanol to refine, crystallization at 0 C, suction filtration, drying, adding 55 ml1 mol / L hydrochloric acid and 100 ml of ethyl acetate, liquid separation, drying, filtration, concentration, the residue was recrystallized from n-hexane to give(S)-1,2,3,4-tetrahydronaphthoic acid white solid 7.21g,The yield was 43.6%,

Reference： [1]Patent: CN108084176,2018,A .Location in patent: Paragraph 0093; 0102; 0103; 0104
[2]Arkiv foer Kemi,1958,vol. 12,p. 161,165
[3]Patent: CN107382697,2017,A

2
[ 85977-52-2 ]
[ 135729-61-2 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 5 steps 1.1: thionyl chloride / toluene / 2.5 h / 35 - 70 °C 2.1: toluene / 1.5 h / 70 °C / Industrial scale 3.1: boron trifluoride methanol complex; sodium tetrahydroborate / methanol / 3.3 h / -5 - 105 °C 3.2: 1 h / 70 °C / Cooling with ice 3.3: 35 °C 4.1: toluene / 12.08 h / 12 - 105 °C 5.1: boron trifluoride methanol complex / 3.5 h / 40 - 105 °C / Industrial scale 5.2: 0.5 h / 105 °C / Industrial scale 5.3: Industrial scale

Reference： [1]Current Patent Assignee: QINGDAO HUANGHAI PHARMACEUTICAL - CN104892595, 2017, B

3
[ 85977-52-2 ]
[ 177793-79-2 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: thionyl chloride / toluene / 2.5 h / 35 - 70 °C 2: toluene / 1.5 h / 70 °C / Industrial scale
	Multi-step reaction with 2 steps 1: thionyl chloride / toluene / 2 h / 60 - 65 °C / Inert atmosphere 2: ethyl acetate / 2 h / 20 °C

Reference： [1]Current Patent Assignee: QINGDAO HUANGHAI PHARMACEUTICAL - CN104892595, 2017, B
[2]Current Patent Assignee: SHANGHAI BOCIMED PHARMACEUTICAL CO LTD - CN108178756, 2018, A

4
[ 85977-52-2 ]
[ 119904-90-4 ]
[ 177793-79-2 ]

Yield	Reaction Conditions	Operation in experiment
19.81 g	Stage #1: (S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid With oxalyl dichloride; N,N-dimethyl-formamide In ethyl acetate at 20℃; for 1.05h; Stage #2: (S)-1-azabicyclo[2.2.2]oct-3-ylamine dihydrochloride With potassium hydroxide In ethanol; ethyl acetate at 50℃; for 3h;	2.B Synthesis of B,(R)-N-((S)-3-quinuclidinyl)-1,2,3,4-tetrahydronaphthyl-1-carboxamide 15.6 g, 0.1 mol of the compound (S)-1,2,3,4-tetrahydronaphthoic acid was dissolved in 45 ml of ethyl acetate, and 8 ml of 0.12 mol of oxalyl chloride was added thereto with stirring, and the mixture was stirred at room temperature for 30 minutes.After adding 2 ml of DMF and stirring at room temperature for 1.0 hour, TLC monitored the reaction completely, concentrated to give a yellow liquid, and 25 ml of ethyl acetate was added as a solution.21.06 g, 0.12 mol of the compound (S)-3-aminoquinuclidinium hydrochloride was dissolved in 250 ml of ethanol, and 18.88 g, 0.32 mol of potassium hydroxide was added thereto with stirring, and the mixture was heated to 50 ° C, stirred for 3 hours, and cooled. Filtration to room temperature, concentration and addition of 60 ml of ethyl acetate to obtain a solution B;Add A droplets to liquid B, the temperature control does not exceed 50 ° C, after the addition is completed, the temperature is raised to 50 ° C and stirred for 2 hours, then cooled to room temperature, concentrated, and added to 120 ml of water.Add 50% sodium hydroxide with stirring, adjust the pH value to 10-12, dephosphorize to 0 °C for 5 hours, and filter to obtain intermediate 2; 23 g of intermediate 2 is dissolved in 110 ml of toluene, heated to reflux 30 After a minute, then cooled to room temperature, crystallization for 5 hours, suction filtration, drying at 60 ° C for 5 hours, finally to obtain refined intermediate 2:(R)-N-((S)-3-quinuclidinyl)-1,2,3,4-tetrahydronaphthyl-1-carboxamide;Yield 19.81 g of a white solid,The yield is 95.0%,HPLC showed a purity of 99.82%.

Reference： [1]Current Patent Assignee: KUNMING YUANRUI PHARMACEUTICAL - CN108084176, 2018, A Location in patent: Paragraph 0095; 0105; 0106; 0107; 0108

5
[ 85977-52-2 ]
[ 13625-39-3 ]
(S)-8-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
23.3%	With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20℃; for 15h;	To a solution of l,3,8-triazaspiro[4.5]decane-2,4-dione (CAS 13625-39-3, 100 mg, 591 mol, eq. 1) and (S)-l,2,3,4-te?rahydronaphthalene-l-carboxylic acid (CAS 85977-52-2, 109 rng, 621 pmol, eq. 1.05) in V,A-dimethylformamide (1ml) were added HATU (449 mg, 1.18 mmol, eq. 2.0) and DIPEA (229 mg, 310 m, 1 77 mmol, eq. 3.0) at room temperature. The reaction mixture was stirred for 15 hours and was then partitioned between ethyl acetate (50 ml) and water (30 ml). The layers were separated. The aqueous layer was extracted with ethyl acetate (2 x 20 ml). The combined organic layers were washed with brine (30 ml), dried over anhydrous sodium sulfate and concentrated in vacuo. The crude material was purified by reversed phase 1IPLC followed by lyophilisation to afford (1370) (S)- 8-( 1 ,2,3 ,4-tetrahydronaphthalene- 1 -carbonyl)- 1 ,3 , 8-triazaspiro[4.5]decane-2,4-dione (45 mg, 137 pm of 23.3 %) as a white solid. MS (ISP): 328.0 ([ M l l j ).

Reference： [1]Patent: WO2019/204354,2019,A1 .Location in patent: Page/Page column 215-216

6
[ 85977-52-2 ]
[ 4922-98-9 ]
C₁₉H₁₈N₄O [ No CAS ]

Reference： [1]ChemMedChem,2021,vol. 16,p. 3672 - 3690

7
[ 85977-52-2 ]
[ 90111-72-1 ]
C₁₉H₂₄N₄O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dimethylsulfoxide-d6 at 20℃; for 3h;

Reference： [1]Platte, Simon; Korff, Marvin; Imberg, Lukas; Balicioglu, Ilker; Erbacher, Catharina; Will, Jonas M.; Daniliuc, Constantin G.; Karst, Uwe; Kalinin, Dmitrii V. [ChemMedChem, 2021, vol. 16, # 24, p. 3672 - 3690]

8
[ 202403-45-0 ]
[ 85977-52-2 ]
(S)-(5-amino-3-(tert-butyl)-1H-1,2,4-triazol-1-yl)(1,2,3,4-tetrahydronaphthalen-1-yl)methanone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
84%	With pyridine; dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 0 - 20℃; for 5h;

9
[ 85977-52-2 ]
[ 22819-07-4 ]
C₂₀H₂₀N₄O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dimethylsulfoxide-d6 at 20℃; for 3h;

Recommend Products

Same Skeleton Products

Related Products

Isomers

Technical Information

• Acids Combine with Acyl Halides to Produce Anhydrides • Acyl Chloride Hydrolysis • Amide Hydrolysis • Amide Hydrolysis • Anhydride Hydrolysis • Arndt-Eistert Homologation • Benzylic Oxidation • Birch Reduction • Birch Reduction of Benzene • Blanc Chloromethylation • Carbonation of Organometallics • Carboxylate Salt Formation • Carboxylic Acids React with Alcohols to Form Esters • Complete Benzylic Oxidations of Alkyl Chains • Complete Benzylic Oxidations of Alkyl Chains • Conversion of Amino with Nitro • Decarboxylation of Substituted Propanedioic • Deprotection of Cbz-Amino Acids • Deprotonation of Methylbenzene • Directing Electron-Donating Effects of Alkyl • Electrophilic Chloromethylation of Polystyrene • Esters Hydrolyze to Carboxylic Acids and Alcohols • Formation of an Amide from an Amine and a Carboxylic Acid • Formation of an Amide from an Amine and a Carboxylic Acid • Friedel-Crafts Alkylation of Benzene with Acyl Chlorides • Friedel-Crafts Alkylation of Benzene with Carboxylic Anhydrides • Friedel-Crafts Alkylation Using Alkenes • Friedel-Crafts Alkylations of Benzene Using Alkenes • Friedel-Crafts Alkylations Using Alcohols • Friedel-Crafts Reaction • Groups that Withdraw Electrons Inductively Are Deactivating and Meta Directing • Halogenation of Benzene • Hunsdiecker-Borodin Reaction • Hydrogenation to Cyclohexane • Hydrogenolysis of Benzyl Ether • Nitration of Benzene • Nitriles Hydrolyze to Carboxylic Acids • Nucleophilic Aromatic Substitution • Nucleophilic Aromatic Substitution with Amine • Oxidation of Aldehydes Furnishes Carboxylic Acids • Oxidation of Alkyl-substituted Benzenes Gives Aromatic Ketones • Oxidation of Primary Alcohols Furnishes Carboxylic Acids • Passerini Reaction • Peptide Bond Formation with DCC • Periodic Acid Degradation of Sugars • Preparation of Alkylbenzene • Preparation of Amines • Preparation of Carboxylic Acids • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions of Carboxylic Acids • Reduction of Carboxylic Acids by LiAlH4 • Reduction of Carboxylic Acids by Lithium Aluminum Hydride • Reduction of Carboxylic Acids by Lithium Aluminum Hydride • Reductive Removal of a Diazonium Group • Reverse Sulfonation——Hydrolysis • Schmidt Reaction • Specialized Acylation Reagents-Ketenes • Sulfonation of Benzene • The Acylium Ion Attack Benzene to Form Phenyl Ketones • The Claisen Rearrangement • The Conversion of Carboxylic Acids into Acyl Halides • The Nitro Group Conver to the Amino Function • Ugi Reaction • Vilsmeier-Haack Reaction

Historical Records

Related Functional Groups of
[ 85977-52-2 ]

Aryls

[ 13491-13-9 ]

(R)-3-Methyl-2-phenylbutanoic acid

Similarity: 0.97

[ 3508-94-9 ]

alpha-Isopropylphenylacetic Acid

Similarity: 0.97

[ 635-51-8 ]

Phenylsuccinic acid

Similarity: 0.97

[ 13490-69-2 ]

(S)-3-Methyl-2-phenylbutanoic acid

Similarity: 0.97

[ 117-34-0 ]

2,2-Diphenylacetic acid

Similarity: 0.94

Carboxylic Acids

[ 13491-13-9 ]

(R)-3-Methyl-2-phenylbutanoic acid

Similarity: 0.97

[ 3508-94-9 ]

alpha-Isopropylphenylacetic Acid

Similarity: 0.97

[ 635-51-8 ]

Phenylsuccinic acid

Similarity: 0.97

[ 13490-69-2 ]

(S)-3-Methyl-2-phenylbutanoic acid

Similarity: 0.97

[ 117-34-0 ]

2,2-Diphenylacetic acid

Similarity: 0.94

Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
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. 85977-52-2 ] {[proInfo.proName]}

Quality Control of [ 85977-52-2 ]

Related Doc. of [ 85977-52-2 ]

Product Details of [ 85977-52-2 ]

Calculated chemistry of [ 85977-52-2 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 85977-52-2 ]

Application In Synthesis of [ 85977-52-2 ]

[ 85977-52-2 ] Synthesis Path-Upstream 1~3

[ 85977-52-2 ] Synthesis Path-Downstream 1~9

Technical Information

Related Functional Groups of [ 85977-52-2 ]

Aryls

Carboxylic Acids

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 85977-52-2 ]