CAS 41632-04-6 Methyl 2-amino-6-chlorobenzoate (HCID 592849)

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Basic information

CAS: 41632-04-6
Standard SMILES: COC(=O)c1c(N)cccc1Cl
InChIKey: BXRYSXCIRIKKJV-UHFFFAOYSA-N
Molecular formula: C8H8ClNO2
Average molar mass: 185.61 g/mol
Monoisotopic mass: 185.02435618

Names & identifiers

Preferred name: Methyl 2-amino-6-chlorobenzoate
IUPAC: methyl 2-amino-6-chlorobenzoate
English name: 2-Amino-6-chlorobenzoic acid methyl ester
Molecular formula: C8H8ClNO2
Molecular weight: 185.61

Names & synonyms

Methyl 2-amino-6-chlorobenzoate41632-04-6DTXSID10343879RefChem:354072DTXCID90294956821-475-82-Amino-6-chlorobenzoic acid methyl esterMFCD16036437Benzoic acid, 2-amino-6-chloro-, methyl estermethyl 6-chloroanthranilatemethyl 6-chloro-anthranilateMethyl2-amino-6-chlorobenzoate

Show more names

2-Amino-6-chlorobenzoic acid methyl ester HCL

SCHEMBL1188368Methyl 2-amino-6-chlorobenzoate #6-Chloroanthranilic acid methyl esterAKOS0052593042-AMino-6-chlorbenzoicacidMethyl esterBS-28243SY006272CS-0143496

Database identifiers

CAS: 41632-04-6
PubChem CID: 592849
DTXSID: DTXSID10343879
EC Number: 821-475-8
Nikkaji: J89.414A

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 174

Physicochemical properties

Boiling point: 290.4 · 290.4±20.0 °C(Predicted)
Density: 1.311 · 1.311±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 1.14 · 1.14±0.10(Predicted)
Appearance: Light yellow to light brown Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2922498590 · 2922498590

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.