Basic information
- CAS
6375-61-7- Standard SMILES
O=C(O)CSc1ccc(Cl)cc1[N+](=O)[O-]- InChIKey
ANONGKPSZGTEJI-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO4S
- Average molar mass
- 247.66 g/mol
- Monoisotopic mass
- 246.9706065
Names & identifiers
- Preferred name
- Acetic acid, 2-[(4-chloro-2-nitrophenyl)thio]-
- IUPAC
- 2-(4-chloro-2-nitrophenyl)sulfanylacetic acid
- English name
- [(4-chloro-2-nitrophenyl)thio]acetic acid
- Molecular formula
- C8H6ClNO4S
- Molecular weight
- 247.66
Names & synonyms
Acetic acid, ((4-chloro-2-nitrophenyl)thio)-Acetic acid, [(4-chloro-2-nitrophenyl)thio]-Acetic acid, 2-((4-chloro-2-nitrophenyl)thio)-Acetic acid, 2-[(4-chloro-2-nitrophenyl)thio]-RefChem:5520726375-61-72-[(4-chloro-2-nitrophenyl)sulfanyl]acetic acid[(4-Chloro-2-nitrophenyl)thio]acetic acid[(4-chloro-2-nitrophenyl)sulfanyl]acetic acid2-(4-chloro-2-nitrophenyl)sulfanylacetic acidDTXSID1064295ANONGKPSZGTEJI-UHFFFAOYSA-N
Show more names
GAA37561AKOS000194573CS-0233311EN300-132486G223942-(4-chloro-2-nitro-phenyl)sulfanylacetic acid2-[(4-chloro-2-nitrophenyl)sulfanyl]aceticacidZ31205650
Database identifiers
- CAS
6375-61-7- PubChem CID
- 80780
- DTXSID
DTXSID1064295- EC Number
- 184-951-8
- Nikkaji
- J421.815I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- EPA Substance Registry System
- Acetic acid, [(4-chloro-2-nitrophenyl)thio]- (6375-61-7)
- TSCA
- TSCA listed
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, P317, 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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2-[(4-chloro-2-nitrophenyl)thio]-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers2 total
UKRORGSYN-BB[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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