Basic information
- CAS
18619-18-6- Standard SMILES
O=C(O)CSc1ccccc1Cl- InChIKey
DRTNNSJQBCUQML-UHFFFAOYSA-N- Molecular formula
- C8H7ClO2S
- Average molar mass
- 202.66 g/mol
- Monoisotopic mass
- 201.9855283
Names & identifiers
- Preferred name
- o-Chlorophenyl thioacetic acid
- IUPAC
- 2-(2-chlorophenyl)sulfanylacetic acid
- English name
- o-chlorophenylthioacetate
- Molecular formula
- C8H7ClO2S
- Molecular weight
- 202.66
Names & synonyms
18619-18-6O-CHLOROPHENYL THIOACETIC ACID[(2-chlorophenyl)thio]acetic acido-Chlorophenylmercaptoacetic acidUNII-LFQ8288EHBLFQ8288EHBAcetic acid, ((o-chlorophenyl)thio)-Acetic acid, ((2-chlorophenyl)thio)-HSDB 2670NSC 513490NSC-513490DTXSID80171863
Show more names
o-chlorophenylthioacetate((o-chlorophenyl)thio)-aceticaci((2-chlorophenyl)thio)-aceticaci2-((2-Chlorophenyl)thio)acetic acid2-[(2-chlorophenyl)sulfanyl]acetic acid
Acetic acid, [(o-chlorophenyl)thio]-Acetic acid, [(2-chlorophenyl)thio]-((2-CHLOROPHENYL)THIO)ACETIC ACID(2-CHLOROPHENYLSULFANYL)ACETIC ACIDACETIC ACID, 2-((2-CHLOROPHENYL)THIO)-Acetic acid, 2-[(2-chlorophenyl)thio]-oChlorophenyl thioacetateRefChem:167164
Database identifiers
- CAS
18619-18-6- PubChem CID
- 29153
- DTXSID
DTXSID80171863- UNII
- LFQ8288EHB
- EC Number
- 899-533-7
- Nikkaji
- J1.158.065C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Other Aromatic Compounds
Physicochemical properties
- Boiling point
- 332.4 · 332.4±27.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 3.37 · 3.37±0.10(Predicted)
- FDA UNII
- 8288 EHB · LFQ8288EHB
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazardous Substances Data
- 18619 · 18619-18-6(Hazardous Substances Data)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazardous Substances Data
- 18619-18-6(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
UsesNot commercially produced in the US; [HSDB]
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1977) NOT PRODUCED COMMERCIALLY IN US
(1979) NOT PRODUCED COMMERCIALLY IN US
Upstream & downstream products
Downstream products
Suppliers7 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
上海丝帆医药科技有限公司18916696128 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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