2-Chlororesorcinol

HCID 80331CAS 31288-32-1

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Basic information

Standard SMILES: Oc1cccc(O)c1Cl
InChIKey: SWZVJOLLQTWFCW-UHFFFAOYSA-N
Molecular formula: C6H5ClO2
Average molar mass: 144.55 g/mol
Monoisotopic mass: 143.99780708

Names & identifiers

Preferred name: 2-Chlororesorcinol
IUPAC: 2-chlorobenzene-1,3-diol
English name: 2-Chlororesorcinol
Molecular formula: C6H5ClO2
Molecular weight: 144.56

Names & synonyms

2-Chlororesorcinol6201-65-6EINECS 228-256-0RefChem:470534228-256-02-chlorobenzene-1,3-diol2-Chloro-1,3-dihydroxybenzeneChlororesorcinolMFCD066581751,3-Benzenediol, chloro-2-Chlororesorcinol, 97%SCHEMBL69881

Show more names

2-Chlorresorcine2-Chlororesorcinol 97%Flumazenil Impurity 22Phloroglucinol Impurity 472,6-DIHYDROXYCHLOROBENZENE2-CHLORO-1,3-BENZENEDIOL/2-CHLORO-RESORCINOL

DTXSID00953325AKOS005146244CS-W004897AC-2227231288-32-11,3-Benzenediol, 2-chloro-2,6-DihydroxychlorobA8581

Database identifiers

CAS: 31288-32-1、6201-65-6
PubChem CID: 80331
DTXSID: DTXSID00953325
ChEMBL: CHEMBL2332774
EC Number: 228-256-0
Nikkaji: J8.361E

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 87.1

Physicochemical properties

Melting point: 94 · 94-99 °C
Boiling point: 244.1 · 244.1±20.0 °C(Predicted)
Density: 1.471 · 1.471±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
form: powder
pka: 7.98 · 7.98±0.10(Predicted)
Appearance: Light brown to yellow Solid
InChI: 1S/C6H5ClO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H
InChIKey: SWZVJOLLQTWFCW-UHFFFAOYSA-N
SMILES: Oc1cccc(O)c1Cl
CAS DataBase Reference: 6201 · 6201-65-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22-37/38-41-52/53
Safety Statements: 26 · 26-36/37/39-61
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.