CAS 37466-90-3 Ethyl 3,4-Diaminobenzoate (HCID 458855)

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Basic information

CAS: 37466-90-3
Standard SMILES: CCOC(=O)c1ccc(N)c(N)c1
InChIKey: NUJBTXFFJUGENN-UHFFFAOYSA-N
Molecular formula: C9H12N2O2
Average molar mass: 180.2 g/mol
Monoisotopic mass: 180.08987762

Names & identifiers

Preferred name: Ethyl 3,4-Diaminobenzoate
IUPAC: ethyl 3,4-diaminobenzoate
English name: Ethyl 3,4-diaminobenzoate
Molecular formula: C9H12N2O2
Molecular weight: 180.2

Names & synonyms

ethyl 3,4-diaminobenzoate37466-90-3DTXSID60332576RefChem:343025DTXCID50283669670-460-03,4-diaminobenzoic acid ethyl esterMFCD00179337Ethyl 3,4-diaminobenzoate, 97%ETHYL3,4-DIAMINOBENZOATEBenzoic acid, 3,4-diamino-, ethyl ester3,4-diamino-benzoic acid ethyl ester

Show more names

Ethyl 3,4-diaminobenzoate-2Ethyl3,4-Diaminobenzoate>3,4-diamino-2-ethylbenzoateEthyl 3,4-diaminobenzoate,97%3,4-diamino-Benzoic acid ethyl ester (6CI 9CI ACI)Benzoic acid, 3,4-diamino-, ethyl ester (6CI, 9CI, ACI)4-(Ethoxycarbonyl)benzene-1,2-diamine, 4-(Ethoxycarbonyl)phenylene-1,2-diamine

Maybridge3_004764SCHEMBL940578SCHEMBL30582428NUJBTXFFJUGENN-UHFFFAOYSA-NCS-M1560STR09661SBB0792693,4-Diaminobenzoic acid, ethyl ester

Database identifiers

CAS: 37466-90-3
PubChem CID: 458855
DTXSID: DTXSID60332576
EC Number: 670-460-0
Nikkaji: J89.166E

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 78.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 184

Physicochemical properties

Melting point: 108 · 108-113 °C
storage temp.: 2 · 2-8°C(protect from light)
solubility: soluble in Methanol
form: powder to crystal
color: White to Light yellow
CAS DataBase Reference: 37466 · 37466-90-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26
HazardClass: IRRITANT
HS Code: 29224985 · 29224985

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 6 reports by companies from 3 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: 29224985
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 37/39-26
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a