[ CAS No. 105983-77-5 ] {[proInfo.proName]}

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Quality Control of [ 105983-77-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 105983-77-5 ]

SDS Specification

Alternatived Products of [ 105983-77-5 ]

Product Details of [ 105983-77-5 ]

CAS No. :	105983-77-5	MDL No. :	MFCD00662514
Formula :	C₆H₉BrO₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HCBQTGAZENNMLM-UHFFFAOYSA-N
M.W :	209.04	Pubchem ID :	9815681
Synonyms :

Calculated chemistry of [ 105983-77-5 ]

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.67
Num. rotatable bonds :	4
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	40.31
TPSA :	43.37 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) :	-6.75 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.51
Log Po/w (XLOGP3) :	1.16
Log Po/w (WLOGP) :	0.9
Log Po/w (MLOGP) :	0.81
Log Po/w (SILICOS-IT) :	1.21
Consensus Log Po/w :	1.12

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.6
Solubility :	5.22 mg/ml ; 0.025 mol/l
Class :	Very soluble
Log S (Ali) :	-1.67
Solubility :	4.51 mg/ml ; 0.0216 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.6
Solubility :	5.2 mg/ml ; 0.0249 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.47

Safety of [ 105983-77-5 ]

Signal Word:	Danger	Class:	8
Precautionary Statements:	P260-P264-P270-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501	UN#:	3265
Hazard Statements:	H302-H314	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 105983-77-5 ]

* 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 [ 105983-77-5 ]
Downstream synthetic route of [ 105983-77-5 ]

[ 105983-77-5 ] Synthesis Path-Upstream 1~2

1
[ 105983-77-5 ]
[ 496062-16-9 ]

Reference： [1] Patent: US2018/153859, 2018, A1,
[2] Patent: US2018/153860, 2018, A1,

2
[ 17356-08-0 ]
[ 105983-77-5 ]
[ 259654-73-4 ]

Yield	Reaction Conditions	Operation in experiment
63%	at 100℃; for 1 h;	To a solution of bromide from Step 1 (18 g, 86 [MMOL)] in toluene (100 mL) was added thiourea (10.5 g, 138 [MMOL).] The reaction mixture was heated to [100C] for 1 h, cooled to rt, and the solvent removed under reduced pressure. The residue was dissolved in [CH2CI2] (100 mL), a saturated solution of [NAHC03] (75 mL) was added, and the mixture was vigorously stirred for 10 minutes. The organic layer was separated, dried [(NA2SO4),] filtered, and concentrated under reduced pressure. The residue was then recrystallized from [CH2CI2/HEXANES] to provide the product (10 g, 63percent) as a white solid. [(C7H10N202S)] : LC-MS, RT 0.76 min, (M+H) [+] 187.0 ;'H NMR [(CDCI3)] : [6] 2.23 (s, 3H), 3.70 (s, 2H), 3.75 (s, 3H), 4.83-4. 95 (broad s, 2H).
63%	at 100℃; for 1 h;	To a solution of bromide of Example 170 (18 g, 86 mmol) in toluene (100 mL) was added thiourea (10.5 g, 138 mmol). The reaction mixture was heated to 100° C. for 1 hour, cooled to rt, and the solvent removed under reduced pressure. The residue was dissolved with CH₂Cl₂ (100 mL), a saturated solution NaHCO₃ (75 mL) added, and the mixture was vigorously stirred for 10 minutes. The organic layer was separated, dried (Na₂SO₄), filtered, and concentrated under reduced pressure. The residue was then recrystallized from CH₂Cl₂/hexanes to provide the product (10 g, 63percent) as a white solid. (C₇H₁₀N₂O₂S): LC-MS, RT 0.76 min, M+H 187.0; ¹H NMR (CDCl₃): δ 2.23 (s, 3H), 3.70 (s, 2H), 3.75 (s, 3H), 4.83-4.95 (broad s, 2H).
63%	at 100℃; for 1 h;	To a solution of bromide of Example 170 (18 g, 86 mmol) in toluene (100 mL) was added thiourea (10.5 g, 138 mmol). The reaction mixture was heated to 100° C. for 1 hour, cooled to rt, and the solvent removed under reduced pressure. The residue was dissolved with CH₂Cl₂ (100 mL), a saturated solution NaHCO₃ (75 mL) added, and the mixture was vigorously stirred for 10 minutes. The organic layer was separated, dried (Na₂SO₄), filtered, and concentrated under reduced pressure. The residue was then recrystallized from CH₂Cl₂/hexanes to provide the product (10 g, 63percent) as a white solid. (C₇H₁₀N₂O₂S): LC-MS, RT 0.76 min, M+H 187.0; ¹H NMR (CDCl₃): δ 2.23 (s, 3H), 3.70 (s, 2H), 3.75 (s, 3H), 4.83-4.95 (broad s, 2H).

Reference： [1] Patent: WO2004/11446, 2004, A1, . Location in patent: Page 90
[2] Patent: US2018/153859, 2018, A1, . Location in patent: Paragraph 0548; 0549
[3] Patent: US2018/153860, 2018, A1, . Location in patent: Paragraph 0550; 0551

[ 105983-77-5 ] Synthesis Path-Downstream 1~15

1
[ 455-37-8 ]
[ 105983-77-5 ]
[ 908373-50-2 ]

Reference： [1]Journal of Medicinal Chemistry,1996,vol. 39,p. 237 - 245

2
[ 445-28-3 ]
[ 105983-77-5 ]
[ 1026046-18-3 ]

Reference： [1]Journal of Medicinal Chemistry,1996,vol. 39,p. 237 - 245

3
[ 330-15-4 ]
[ 105983-77-5 ]
[ 1027417-56-6 ]

Yield	Reaction Conditions	Operation in experiment
	In 1,4-dioxane; toluene Heating;

Reference： [1]Malamas; Carlson; Grimes; Howell; Glaser; Gunawan; Nelson; Kanzelberger; Shah; Hartman [Journal of Medicinal Chemistry, 1996, vol. 39, # 1, p. 237 - 245]

4
[ 14294-10-1 ]
[ 105983-77-5 ]
[ 196810-38-5 ]

Yield	Reaction Conditions	Operation in experiment
	In 1,4-dioxane at 120℃; for 16h;

Reference： [1]Collins, Jon L.; Blanchard, Steven G.; Boswell, G. Evan; Charifson, Paul S.; Cobb, Jeff E.; Henke, Brad R.; Hull-Ryde, Emily A.; Kazmierski, Wieslaw M.; Lake, Debra H.; Leesnitzer, Lisa M.; Lehmann, Jürgen; Lenhard, James M.; Orband-Miller, Lisa A.; Gray-Nunez, Yolanda; Parks, Derek J.; Plunkett, Kelli D.; Tong, Wei-Qin [Journal of Medicinal Chemistry, 1998, vol. 41, # 25, p. 5037 - 5054]

5
[ 105983-77-5 ]
[ 196811-66-2 ]
(5-methyl-2-piperazin-1-yl-thiazol-4-yl)-acetic acid methyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 5037 - 5054

6
[ 105983-77-5 ]
[ 196811-66-2 ]
[ 196811-68-4 ]

Reference： [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 5037 - 5054

7
[ 17356-08-0 ]
[ 105983-77-5 ]
[ 259654-73-4 ]

Yield	Reaction Conditions	Operation in experiment
63%	In toluene; at 100℃; for 1h;	To a solution of bromide from Step 1 (18 g, 86 [MMOL)] in toluene (100 mL) was added thiourea (10.5 g, 138 [MMOL).] The reaction mixture was heated to [100C] for 1 h, cooled to rt, and the solvent removed under reduced pressure. The residue was dissolved in [CH2CI2] (100 mL), a saturated solution of [NAHC03] (75 mL) was added, and the mixture was vigorously stirred for 10 minutes. The organic layer was separated, dried [(NA2SO4),] filtered, and concentrated under reduced pressure. The residue was then recrystallized from [CH2CI2/HEXANES] to provide the product (10 g, 63%) as a white solid. [(C7H10N202S)] : LC-MS, RT 0.76 min, (M+H) [+] 187.0 ;'H NMR [(CDCI3)] : [6] 2.23 (s, 3H), 3.70 (s, 2H), 3.75 (s, 3H), 4.83-4. 95 (broad s, 2H).
63%	In toluene; at 100℃; for 1h;	To a solution of bromide of Example 170 (18 g, 86 mmol) in toluene (100 mL) was added thiourea (10.5 g, 138 mmol). The reaction mixture was heated to 100 C. for 1 hour, cooled to rt, and the solvent removed under reduced pressure. The residue was dissolved with CH2Cl2 (100 mL), a saturated solution NaHCO3 (75 mL) added, and the mixture was vigorously stirred for 10 minutes. The organic layer was separated, dried (Na2SO4), filtered, and concentrated under reduced pressure. The residue was then recrystallized from CH2Cl2/hexanes to provide the product (10 g, 63%) as a white solid. (C7H10N2O2S): LC-MS, RT 0.76 min, M+H 187.0; 1H NMR (CDCl3): delta 2.23 (s, 3H), 3.70 (s, 2H), 3.75 (s, 3H), 4.83-4.95 (broad s, 2H).
63%	In toluene; at 100℃; for 1h;	To a solution of bromide of Example 170 (18 g, 86 mmol) in toluene (100 mL) was added thiourea (10.5 g, 138 mmol). The reaction mixture was heated to 100 C. for 1 hour, cooled to rt, and the solvent removed under reduced pressure. The residue was dissolved with CH2Cl2 (100 mL), a saturated solution NaHCO3 (75 mL) added, and the mixture was vigorously stirred for 10 minutes. The organic layer was separated, dried (Na2SO4), filtered, and concentrated under reduced pressure. The residue was then recrystallized from CH2Cl2/hexanes to provide the product (10 g, 63%) as a white solid. (C7H10N2O2S): LC-MS, RT 0.76 min, M+H 187.0; 1H NMR (CDCl3): delta 2.23 (s, 3H), 3.70 (s, 2H), 3.75 (s, 3H), 4.83-4.95 (broad s, 2H).

Reference： [1]Patent: WO2004/11446,2004,A1 .Location in patent: Page 90
[2]Patent: US2018/153859,2018,A1 .Location in patent: Paragraph 0548; 0549
[3]Patent: US2018/153860,2018,A1 .Location in patent: Paragraph 0550; 0551

8
[ 536-33-4 ]
[ 521266-83-1 ]
[ 105983-77-5 ]
[ 521266-82-0 ]

Yield	Reaction Conditions	Operation in experiment
		Example 57 (2S)-1-({2-[2-(2-Ethyl-pyridin-4-yl)-5-methyl-thiazol-4-yl]-ethylamino}-acetyl)-pyrrolidine-2-carbonitrile The title compound was prepared in analogy to example 31 (steps A] and C] as outlined for example 31 and step B] according to example 33) starting from 2-[2-(2-ethyl-pyridin-4-yl)-5-methyl-thiazol-4-yl]-ethanol. This starting material could be prepared from 2-ethyl-4-pyridinecarbothioamide [CAS 536-33-4, commercially available] and methyl-4-bromo-3-oxopentanoate with 4-fluoro-benzamide as described in Collins, J. L. et al. J. Med. Chem. 1998, 41, 5037-5054. The compound was obtained as a yellow gum. MS (ISP): 384.2 (MH+).

Reference： [1]Patent: US2003/130281,2003,A1

9
[ 521266-78-4 ]
[ 17213-58-0 ]
[ 105983-77-5 ]
[ 521266-77-3 ]

Yield	Reaction Conditions	Operation in experiment
		54 (2S)-1-({2-[2-(3,5-Dimethoxy-phenyl)-5-methyl-oxazol-4-yl]-ethylamino}-acetyl)-pyrrolidine-2-carbonitrile Example 54 (2S)-1-({2-[2-(3,5-Dimethoxy-phenyl)-5-methyl-oxazol-4-yl]-ethylamino}-acetyl)-pyrrolidine-2-carbonitrile The title compound was prepared in analogy to example 31 starting from 2-[2-(3,5-dimethoxy-phenyl)-5-methyl-oxazol-4-yl]-ethanol. The starting material could be prepared from 3,5-dimethoxy-benzamide FCAS 17213-58-0, commercially available] and methyl-4-bromo-3-oxopentanoate with 4-fluoro-benzamide as described in Collins, J. L. et al. J. Med. Chem. 1998, 41, 5037-5054. Steps A] to C] yielded a brown gum. MS (ISP): 399.5 (MH+).

Reference： [1]Current Patent Assignee: ROCHE HOLDING AG - US2003/130281, 2003, A1

10
2-(5-methyl-2-m-tolyloxazol-4-yl)ethanol [ No CAS ]
[ 261945-92-0 ]
[ 105983-77-5 ]
[ 521266-79-5 ]

Yield	Reaction Conditions	Operation in experiment
		55 (2S)-1-({2-[2-(4-Fluoro-3-methyl-phenyl)-5-methyl-oxazol-4-yl]-ethylamino}-acetyl)-pyrrolidine-2-carbonitrile Example 55 (2S)-1-({2-[2-(4-Fluoro-3-methyl-phenyl)-5-methyl-oxazol-4-yl]-ethylamino}-acetyl)-pyrrolidine-2-carbonitrile The title compound was prepared in analogy to example 31 starting from 2-[2-(3-methyl-phenyl)-5-methyl-oxazol-4-yl]-ethanol. The starting material could be prepared from 4-fluoro-3-methyl-benzamide [CAS 261945-92-0, commercially available] and methyl-4-bromo-3-oxopentanoate with 4-fluoro-benzamide as described in Collins, J. L. et al. J. Med. Chem. 1998, 41, 5037-5054. Steps A] to C] yielded a yellow oil. MS (ISP): 371.3 (MH+).

Reference： [1]Current Patent Assignee: ROCHE HOLDING AG - US2003/130281, 2003, A1

11
2-[2-(3-methyl-phenyl)-5-methyl-thiazol-4-yl]-ethanol [ No CAS ]
[ 2362-63-2 ]
[ 105983-77-5 ]
[ 521266-80-8 ]

Yield	Reaction Conditions	Operation in experiment
		Example 56 (2S)-1-({2-[2-(3-Methyl-phenyl)-5-methyl-thiazol-4-yl]-ethylamino}-acetyl)-pyrrolidine-2-carbonitrile The title compound was prepared in analogy to example 31 (steps A] and C] as outlined for example 31 and step B] according to example 33) starting from 2-[2-(3-methyl-phenyl)-5-methyl-thiazol-4-yl]-ethanol. This starting material could be prepared from 3-methyl-benzthioamide [CAS 2362-63-2, commercially available] and methyl-4-bromo-3-oxopentanoate with 4-fluoro-benzamide as described in Collins, J. L. et al J. Med. Chem. 1998, 41, 5037-5054. The compound was obtained as a yellow oil. MS (ISP): 369.2 (MH+).

Reference： [1]Patent: US2003/130281,2003,A1

12
[ 105983-77-5 ]
[ 496062-15-8 ]

Reference： [1]Patent: US2018/153859,2018,A1

13
[ 105983-77-5 ]
[ 496062-16-9 ]

Reference： [1]Patent: US2018/153859,2018,A1
[2]Patent: US2018/153860,2018,A1

14
[ 2362-62-1 ]
[ 105983-77-5 ]
[ 496062-19-2 ]

Yield	Reaction Conditions	Operation in experiment
62%	In toluene for 15h; Reflux;	176 Preparation of methyl [5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate To a solution of bromide of Example 170 (1.15 g, 5.52 mmol) in toluene (20 mL) was added 4-methyl thiobenzamide (1.0 g, 6.6 mmol). The reaction mixture was heated to reflux for 15 hours, cooled to rt, diluted with EtOAc (150 mL), and washed with a saturated solution of NaHCO3 (50 mL), then with a saturated solution of NH4Cl (50 mL). The organic layer was dried (Na2SO4), filtered, and concentrated under reduced pressure. The residue was then purified by silica gel flash chromatography (9:1 hexanes/EtOAc) to afford the product as a pinkish oil that solidified upon standing (1.14 g, 62%). 1H NMR (CDCl3): δ 2.38 (s, 3H), 3.45 (s, 3H), 3.74 (s, 3H), 3.80 (s, 2H), 7.49 (AB quartet, 4H); Rf (0.4, eluant 9:1 hexanes/EtOAc).
62%	With sodium hydrogencarbonate In toluene for 15h; Reflux;	176 Example 176 Preparation of methyl [5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate To a solution of bromide of Example 170 (1.15 g, 5.52 mmol) in toluene (20 mL) was added 4-methyl thiobenzamide (1.0 g, 6.6 mmol). The reaction mixture was heated to reflux for 15 hours, cooled to rt, diluted with EtOAc (150 mL), and washed with a saturated solution of NaHCO3 (50 mL), then with a saturated solution of NH4Cl (50 mL). The organic layer was dried (Na2SO4), filtered, and concentrated under reduced pressure. The residue was then purified by silica gel flash chromatography (9:1 hexanes/EtOAc) to afford the product as a pinkish oil that solidified upon standing (1.14 g, 62%). 1H NMR (CDCl3): δ 2.38 (s, 3H), 3.45 (s, 3H), 3.74 (s, 3H), 3.80 (s, 2H), 7.49 (AB quartet, 4H); Rf (0.4, eluant 9:1 hexanes/EtOAc).

Reference： [1]Current Patent Assignee: T3D THERAPEUTICS INC - US2018/153859, 2018, A1 Location in patent: Paragraph 0560; 0561
[2]Current Patent Assignee: T3D THERAPEUTICS INC - US2018/153860, 2018, A1 Location in patent: Paragraph 0564; 0565

15
[ 540-80-7 ]
[ 105983-77-5 ]
[ 496062-15-8 ]

Yield	Reaction Conditions	Operation in experiment
40%	With copper(ll) bromide; In acetonitrile; at -20 - 15℃; for 2.0h;	To a solution of CuBr2 (4.03 g, 18.1 mmol) and t-butyl nitrite (2.82 mL, 23.8 mmol) in MeCN (210 mL) was added the compound of Example 170 (2.95 g, 15.9 mmol) at -20 C. The reaction mixture was slowly warmed to 15 C., at which point the evolution of N2 was observed. After stirring for an additional 2 hours at 15 C., the reaction mixture was diluted with Et2O (400 mL) and washed with a 10% solution of HCl (200 mL). The solvent layers were separated, the aqueous re-extracted with Et2O (2*300 mL), and the combined organic layers dried (MgSO4), filtered, and concentrated under reduced pressure. The residue was then purified by silica gel flash chromatography (98:2, hexanes/EtOAc) to afford bromide Example 172 (1.6 g, 40%) as a colorless oil that solidifies upon standing. (C7H8BrNO2S): LC-MS, RT 2.56 min., M+H 250.3; 1H NMR (CDCl3): delta 2.26 (s, 3H), 3.60 (s, 2H), 3.61 (s, 3H).

Reference： [1]Patent: US2018/153860,2018,A1 .Location in patent: Paragraph 0553

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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

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. 105983-77-5 ] {[proInfo.proName]}

Quality Control of [ 105983-77-5 ]

Related Doc. of [ 105983-77-5 ]

Product Details of [ 105983-77-5 ]

Calculated chemistry of [ 105983-77-5 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 105983-77-5 ]

Application In Synthesis of [ 105983-77-5 ]

[ 105983-77-5 ] Synthesis Path-Upstream 1~2

[ 105983-77-5 ] Synthesis Path-Downstream 1~15

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry