CAS 5182-44-5 m-Chlorophenethylic alcohol (HCID 78856)

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Basic information

CAS: 5182-44-5
Standard SMILES: OCCc1cccc(Cl)c1
InChIKey: NDWAVJKRSASRPH-UHFFFAOYSA-N
Molecular formula: C8H9ClO
Average molar mass: 156.61 g/mol
Monoisotopic mass: 156.03419259

Names & identifiers

Preferred name: m-Chlorophenethylic alcohol
IUPAC: 2-(3-chlorophenyl)ethanol
English name: 3-CHLOROPHENETHYLALCOHOL
Molecular formula: C8H9ClO
Molecular weight: 156.61

Names & synonyms

2-(3-Chlorophenyl)ethanol5182-44-5m-Chlorophenethylic alcoholEINECS 225-964-1AI3-36528DTXSID70199773RefChem:800354DTXCID30122264225-964-1InChI=1/C8H9ClO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H3-Chlorophenethyl alcoholBenzeneethanol, 3-chloro-

Show more names

3-CHLOROPHENETHYLALCOHOL3-ChlorophenylEthylalcohol3-Chlorophenethylalcohol,98%3-CHLOROPHENETHYLALCOHOL 98%

2-(3-Chlorophenyl)Ethan-1-Olm-Chlorophenethyl alcoholMFCD000028923-chlorobenzeneethanolPhenethyl alcohol, m-chloro-SCHEMBL625264AKOS009156872CS-W001945

Database identifiers

CAS: 5182-44-5
PubChem CID: 78856
DTXSID: DTXSID70199773
UNII: DM6ZRH9TES
EC Number: 225-964-1
Nikkaji: J5.202G

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 95.3

Physicochemical properties

Boiling point: 135 · 135-137 °C/13 mmHg (lit.)
Density: 1.181 g/mL · 1.181 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.549(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
form: Liquid
pka: 14.76 · 14.76±0.10(Predicted)
Specific Gravity: 1.157 · 1.157
color: Clear colorless to very slightly yellow
BRN: 2042059 · 2042059
InChI: InChI=1S/C8H9ClO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2
InChIKey: NDWAVJKRSASRPH-UHFFFAOYSA-N
SMILES: C1(CCO)=CC=CC(Cl)=C1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07

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 2 reports by companies from 2 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

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
hs_code: 29052900
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 23-24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362