Chloramben-methyl

HCID 23714

Notes Reactions

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Basic information

CAS: 7286-84-2
Standard SMILES: COC(=O)c1cc(Cl)cc(N)c1Cl
InChIKey: DTSSCQVCVYZGSI-UHFFFAOYSA-N
Molecular formula: C8H7Cl2NO2
Average molar mass: 220.05 g/mol
Monoisotopic mass: 218.98538382

Names & identifiers

Preferred name: Chloramben-methyl
IUPAC: methyl 3-amino-2,5-dichlorobenzoate
English name: Vegiben 2E
Molecular formula: C8H7Cl2NO2
Molecular weight: 220.05

Names & synonyms

Methyl 3-amino-2,5-dichlorobenzoate7286-84-2Chloramben-methylChloramben methylChloramben methyl esterMethyl chlorambenAmiben, methyl esterAmchem 65-81-bChloramben-methyl [ISO]Caswell No. 168EBenzoic acid, 3-amino-2,5-dichloro-, methyl ester3-Amino-2,5-dichlorobenzoic acid methyl ester

Show more names

Vegiben 2EchlorambenmethylASC Chloramben Methyl EsterC11110800 Chloramben-methyLesterMETHYL-3-AMINO-2,5-DICHLOROBENZOATE

NSC 190368PR0142CJCUEPA Pesticide Chemical Code 0299052,5-Dichloro-3-aminobenzoic acid, methyl esterBRN 2097487NSC-190368DTXSID1041762CHLORAMBEN METHYL ESTER [MI]

Database identifiers

CAS: 7286-84-2
PubChem CID: 23714
DTXSID: DTXSID1041762
UNII: PR0142CJCU
EC Number: 687-115-5
Nikkaji: J81.360E

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 201

Experimental & physicochemical properties

SpringerMaterials PropertiesFusion temperature

PesticidesPesticide

Physicochemical properties

Melting point: 61.94 °C · 61.94°C
Boiling point: 340.4 · 340.4±37.0 °C(Predicted)
Density: 1.3811 · 1.3811 (rough estimate)
refractive index: 1.61 · 1.6100 (estimate)
storage temp.: 2 · 2-8°C, protect from light
pka: 0.45 · 0.45±0.10(Predicted)
Appearance: Off-white to light yellow Solid
Water Solubility: 0.12 g/L · 0.12g/L(20 ºC)
FDA UNII: 142 CJCU · PR0142CJCU
NIST Chemistry Reference: 3 · Benzoic acid, 3-amino-2,5-dichloro-, methyl ester(7286-84-2)
EPA Substance Registry System: Chloramben-methyl (7286-84-2)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H302-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 7% (3 of 43) of reports.

Warning

H302 (93%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (93%)

Toxicology

USGS Health-Based Screening Levels for Evaluating Water-Quality · 3 items

Chloramben, methyl ester

Pesticide

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H302-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362