2-Chloro-4-methoxyphenol

HCID 87459

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Basic information

CAS: 18113-03-6
Standard SMILES: COc1ccc(O)c(Cl)c1
InChIKey: GNVRRKLFFYSLGT-UHFFFAOYSA-N
Molecular formula: C7H7ClO2
Average molar mass: 158.58 g/mol
Monoisotopic mass: 158.01345714

Names & identifiers

Preferred name: 2-Chloro-4-methoxyphenol
IUPAC: 2-chloro-4-methoxyphenol
English name: 2-CHLORO-4-METHOXYPHENOL
Molecular formula: C7H7ClO2
Molecular weight: 158.58

Names & synonyms

2-Chloro-4-methoxyphenol18113-03-6Phenol, 2-chloro-4-methoxy-EINECS 242-007-3DTXSID50171077RefChem:469047DTXCID4093568242-007-33-Chloro-4-hydroxyanisoleMFCD000707732-chloro-4-methoxy-phenol2-Chloro-4-methoxyphenol, 98%

Show more names

2-chloro-4-methoxylphenol2-Chloro-4-methoxyphenol,97%2-Chloro-4-methoxyphenol >2-Chloro-4-Methoxyphenol, 97% 5GR2-Chlorohydroquinonemonomethylether3-Chloro-4-hydroxyanisole, 2-Chloro-p-guaiacol

CL8463CS-W008217FS-2159SY018292Phenol, chloro-4-methoxy-Phenol, chloroA4014SCHEMBL754809

Database identifiers

CAS: 18113-03-6
PubChem CID: 87459
DTXSID: DTXSID50171077
EC Number: 242-007-3
Nikkaji: J260.877D

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 108

Physicochemical properties

Melting point: 41 · 41-44 °C(lit.)
Boiling point: 241 °C · 241°C (rough estimate)
Density: 1.153 g/mL · 1.153 g/mL at 25 °C(lit.)
Flash point: 185 °F · 185 °F
storage temp.: 2 · Sealed in dry,2-8°C
form: Crystalline Low Melting Solid
pka: 8.98 · 8.98±0.18(Predicted)
Specific Gravity: 1.153 · 1.153
color: White to light yellow
BRN: 1936412 · 1936412
InChI: 1S/C7H7ClO2/c1-10-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
InChIKey: GNVRRKLFFYSLGT-UHFFFAOYSA-N
SMILES: COc1ccc(O)c(Cl)c1
CAS DataBase Reference: 18113 · 18113-03-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335-H302-H312
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338-P280h
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29071990 · 29071990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.9%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29071990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335-H302-H312
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338-P280h