CAS 56456-50-9 2-Chloro-6-fluorobenzyl alcohol (HCID 91868)

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Basic information

CAS: 56456-50-9
Standard SMILES: OCc1c(F)cccc1Cl
InChIKey: ZZFCUESFXBCRSC-UHFFFAOYSA-N
Molecular formula: C7H6ClFO
Average molar mass: 160.57 g/mol
Monoisotopic mass: 160.00912071

Names & identifiers

Preferred name: 2-Chloro-6-fluorobenzyl alcohol
IUPAC: (2-chloro-6-fluorophenyl)methanol
English name: 2-Chloro-6-fluorobenzyl alcohol
Molecular formula: C7H6ClFO
Molecular weight: 160.57

Names & synonyms

2-Chloro-6-fluorobenzyl alcohol56456-50-9(2-Chloro-6-fluorophenyl)methanol2-fluoro-6-chlorobenzyl alcoholBenzenemethanol, 2-chloro-6-fluoro-2-Chloro-6-fluorobenzylic alcohol5K0SC480HMZZFCUESFXBCRSC-UHFFFAOYSA-DTXSID30205006EINECS 260-192-9RefChem:469635DTXCID90127497

Show more names

RARECHEM AL BD 0020LABOTEST-BB LT000534622-Fluoro-6-chlorobenzylalcohol6-FLUORO-2-CHLOROBENZYL ALCOHOL2-Chloro-6-fluorobenzylalcohol97%2-Chloro-6-fluorobenzyl Alcohol >2-Chloro-6-fluorobenzyl alcohol 97%

260-192-9InChI=1/C7H6ClFO/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H22-Chloro-6-fluorobenzylalcoholMFCD00004608UNII-5K0SC480HMCK2440AKOS000249061CS-W016150

Database identifiers

CAS: 56456-50-9
PubChem CID: 91868
DTXSID: DTXSID30205006
UNII: 5K0SC480HM
EC Number: 260-192-9
Nikkaji: J340I

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Physicochemical properties

Melting point: 40 · 40-43 °C (lit.)
Boiling point: 160 °C · 160°C (rough estimate)
Density: 1.278 · 1.2780 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: 2 · Storage temp. 2-8°C
pka: 13.51 · 13.51±0.10(Predicted)
form: powder to crystal
color: White to Almost white
BRN: 1938353 · 1938353
InChI: 1S/C7H6ClFO/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2
InChIKey: ZZFCUESFXBCRSC-UHFFFAOYSA-N
SMILES: OCc1c(F)cccc1Cl
CAS DataBase Reference: 56456 · 56456-50-9(CAS DataBase Reference)
FDA UNII: 5 K0SC480HM · 5K0SC480HM
NIST Chemistry Reference: 2 · 2-Chloro-6-fluorobenzyl alcohol(56456-50-9)
UNSPSC Code

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 9 reports by companies from 5 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, type N95 (US)
wgk: 3
hs_code: 29062990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 37/39-26
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280g-P305+P351+P338