Dimethyl 2-chloroterephthalate

HCID 87740CAS 18643-84-0

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)c1ccc(C(=O)OC)c(Cl)c1
InChIKey: FUFFCPIFRICMFH-UHFFFAOYSA-N
Molecular formula: C10H9ClO4
Average molar mass: 228.63 g/mol
Monoisotopic mass: 228.01893645

Names & identifiers

Preferred name: Dimethyl 2-chloroterephthalate
IUPAC: dimethyl 2-chlorobenzene-1,4-dicarboxylate
English name: Dimethyl chloroterephthalate
Molecular formula: C10H9ClO4
Molecular weight: 228.63

Names & synonyms

Dimethyl 2-chloroterephthalate18643-84-0EINECS 242-475-9DTXSID80171904RefChem:588153DTXCID7094395242-475-9Dimethyl chloroterephthalatedimethyl 2-chlorobenzene-1,4-dicarboxylateDIMETHYL 2-CHLOROBENZENE-1,4-DIOATEMFCD000606391,4-Benzenedicarboxylic acid, 2-chloro-, dimethyl ester

Show more names

2-chloro-3,5-dimethylterephthalateChloroterephthalicaciddimethylester2-chloro-1,4-Benzenedicarboxylic acid 1,4-dimethyl ester1,4-Benzenedicarboxylic acid, 2-chloro-, 1,4-dimethyl ester

2-chloro-1,4-benzenedicarboxylic acid dimethyl esterdimethyl chloro-terephthalateSCHEMBL69263Dimethyl 2-chloroterephthalate #AB9126AKOS015849907AS-44945DB-333971

Database identifiers

CAS: 18643-84-0
PubChem CID: 87740
DTXSID: DTXSID80171904
EC Number: 242-475-9
Nikkaji: J222.261B

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 254

Physicochemical properties

Melting point: 58 · 58-60°C
Boiling point: 318.6 · 318.6±22.0 °C(Predicted)
Density: 1.29 · 1.290±0.06 g/cm3(Predicted)
NIST Chemistry Reference: 1 · 1,4-Benzenedicarboxylic acid, 2-chloro-, dimethyl ester(18643-84-0)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501