Basic information
- CAS
635317-46-3- Standard SMILES
COC(=O)c1c(Cl)ccc([N+](=O)[O-])c1N- InChIKey
VKAANPGYTOPKLN-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2O4
- Average molar mass
- 230.6 g/mol
- Monoisotopic mass
- 230.0094344
Names & identifiers
- Preferred name
- Methyl 2-amino-6-chloro-3-nitrobenzoate
- IUPAC
- methyl 2-amino-6-chloro-3-nitrobenzoate
- English name
- methyl 2-amino-6-chloro-3-nitrobenzoate
- Molecular formula
- C8H7ClN2O4
- Molecular weight
- 230.61
Names & synonyms
methyl 2-amino-6-chloro-3-nitrobenzoate635317-46-3RefChem:814088822-100-0SCHEMBL4689028VKAANPGYTOPKLN-UHFFFAOYSA-NKAB31746methyl2-amino-6-chloro-3-nitrobenzoatemethyl 2-amino-6-chloro-3-nitro-benzoateDB-351854CS-0223498EN300-115544
Show more names
2-Amino-6-chloro-3-nitro-benzoic acid methyl esterBenzoic acid, 2-amino-6-chloro-3-nitro-, methyl ester
Database identifiers
- CAS
635317-46-3- PubChem CID
- 59645472
- EC Number
- 822-100-0
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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
- H335-H302-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers6 total
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
Cochemical Co. Ltd.+86-029-86115547 +86-17791676824 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
4 records
Compound notes
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