CAS 40800-65-5 Ethyl 4-amino-3-methylbenzoate (HCID 282796)

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Basic information

CAS: 40800-65-5
Standard SMILES: CCOC(=O)c1ccc(N)c(C)c1
InChIKey: JUKRQDBAJXYXIR-UHFFFAOYSA-N
Molecular formula: C10H13NO2
Average molar mass: 179.22 g/mol
Monoisotopic mass: 179.09462866

Names & identifiers

Preferred name: Ethyl 4-amino-3-methylbenzoate
IUPAC: ethyl 4-amino-3-methylbenzoate
English name: Ethyl 4-amino-3-methylbenzoate
Molecular formula: C10H13NO2
Molecular weight: 179.22

Names & synonyms

ethyl 4-amino-3-methylbenzoate40800-65-5DTXSID70300408RefChem:1084929DTXCID30251543MFCD03788450Ethyl4-amino-3-methylbenzoatebenzoic acid, 4-amino-3-methyl-, ethyl ester4-Amino-3-methylbenzoic acid ethyl esterSTK825992AKOS000430913AC-4484

Show more names

AKOS BB-3095

AS-8502CS-0151763EN300-99651W10053ethyl-4-amino-3-methylbenzoateethyl 4-amino-3-methyl-benzoateBCP24543NSC136731

Database identifiers

CAS: 40800-65-5
PubChem CID: 282796
DTXSID: DTXSID70300408
EC Number: 674-746-6
Nikkaji: J2.870.811D

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 182

Physicochemical properties

Melting point: 79 · 79-80 °C
Boiling point: 327 · 327.0±22.0 °C(Predicted)
Density: 1.103 · 1.103±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 2.36 · 2.36±0.10(Predicted)
Appearance: Light yellow to light brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2916310090 · 2916310090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2916310090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H302-H315-H319
Precautionary statements: P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330