Basic information
- CAS
163395-25-3- Standard SMILES
O=C(O)Cc1ccc([N+](=O)[O-])c(Cl)c1- InChIKey
KSQUWMUXPVUNQK-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO4
- Average molar mass
- 215.59 g/mol
- Monoisotopic mass
- 214.9985354
Names & identifiers
- Preferred name
- 2-(3-Chloro-4-nitrophenyl)acetic acid
- IUPAC
- 2-(3-chloro-4-nitrophenyl)acetic acid
- English name
- 4-Chloro-3-nitrophenylacetic acid
- Molecular formula
- C8H6ClNO4
- Molecular weight
- 215.59
Names & synonyms
163395-25-32-(3-chloro-4-nitrophenyl)acetic acidRefChem:455343871-520-0BENZENEACETIC ACID,3-CHLORO-4-NITRO-3-Chloro-4-nitrobenzeneacetic acid3-CHLORO-4-NITROPHENYLACETIC ACIDSCHEMBL1857263EN300-19817504-Chloro-3-nitrophenylacetic acid3-Chloro-4-nitrobenzeneacetic?acid3-chloro-4-nitrophenylaccetic acid
Show more names
Benzeneacetic acid, 3-chloro-4-nitro-
Database identifiers
- CAS
163395-25-3- PubChem CID
- 10082012
- EC Number
- 871-520-0
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Boiling point
- 405.1 · 405.1±30.0 °C(Predicted)
- Density
- 1.532 · 1.532±0.06 g/cm3(Predicted)
- pka
- 3.68 · 3.68±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H319-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- C
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_code
- C
- Hazard statements
- H302-H335-H319-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers5 total
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
北京依特能化学科技有限责任公司010-59484199 18611897322;18611897322 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…