Methyl 5-chloro-2-methyl-3-nitrobenzoate

HCID 53399191
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Basic information

CAS
294190-17-3
Standard SMILES
COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1C
InChIKey
JAMJGHLCWGZMDT-UHFFFAOYSA-N
Molecular formula
C9H8ClNO4
Average molar mass
229.62 g/mol
Monoisotopic mass
229.0141854

Names & identifiers

Preferred name
Methyl 5-chloro-2-methyl-3-nitrobenzoate
IUPAC
methyl 5-chloro-2-methyl-3-nitrobenzoate
English name
5-Chloro-2-methyl-3-nitro-benzoic acid methyl ester
Molecular formula
C9H8ClNO4
Molecular weight
229.62

Names & synonyms

Methyl 5-chloro-2-methyl-3-nitrobenzoate294190-17-35-Chloro-2-methyl-3-nitro-benzoic acid methyl esterMFCD11845450Benzoic acid, 5-chloro-2-methyl-3-nitro-, methyl esterSCHEMBL2043408DTXSID90694573JAMJGHLCWGZMDT-UHFFFAOYSA-NAKOS016011203Methyl5-chloro-2-methyl-3-nitrobenzoateAC-33897AS-30672
Show more names
SY240596DB-125312methyl 5-chloro-2-methyl-3-nitro-benzoate

Database identifiers

CAS
294190-17-3
PubChem CID
53399191
DTXSID
DTXSID90694573

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
72.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
15

Physicochemical properties

Boiling point
317.1 · 317.1±37.0 °C(Predicted)
Density
1.371 · 1.371±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers47 total

上海策嵘生物科技有限公司[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Changzhou Helios Biomedical Science and Technology Co.,LTD.+8618961213068;+8618961100976 · [email protected]

Related reactions

28 records
New reaction record

Compound notes

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