CAS 1805-32-9 3,4-Dichlorobenzyl alcohol (HCID 15728)

Names & identifiers

Preferred name: 3,4-Dichlorobenzyl alcohol
IUPAC: (3,4-dichlorophenyl)methanol
English name: 3,4-Dichlorobenzyl alcohol
Molecular formula: C7H6Cl2O
Molecular weight: 177.03

Names & synonyms

3,4-Dichlorobenzyl alcohol1805-32-9(3,4-Dichlorophenyl)methanolBenzenemethanol, 3,4-dichloro-3,4-dichlorobenzenemethanolBenzyl alcohol, 3,4-dichloro-G2EM844U91EINECS 217-299-0NSC-26136NSC-407829UNII-G2EM844U91AI3-20553

Show more names

RARECHEM AL BD 05363,4-Dichlorobenzyl aMiconazole impurity 2LABOTEST-BB LT02003790Miconazole Impurity 173,4-DICHLORBENZYL ALCOHOL3,4-DICHLOROBENZENEALCOHOL3,4-Dichlorobenzoyl alcohol

FVJIUQSKXOYFKG-UHFFFAOYSA-DTXSID70170966NSC 26136NSC 407829RefChem:91029DTXCID2093457217-299-0FVJIUQSKXOYFKG-UHFFFAOYSA-N

Database identifiers

CAS: 1805-32-9
PubChem CID: 15728
DTXSID: DTXSID70170966
ChEMBL: CHEMBL2323843
UNII: G2EM844U91
EC Number: 217-299-0
Nikkaji: J1.780I

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 108

Physicochemical properties

Melting point: 35 · 35-38 °C(lit.)
Boiling point: 148 · 148-151 °C(lit.)
Density: 1.297 · 1.2970 (rough estimate)
refractive index: 1.557 · 1.5570 (estimate)
Flash point: 110 °C · >110°C
storage temp.: 2 · 2-8°C
pka: 13.7 · 13.70±0.10(Predicted)
form: solid
color: White to Almost white
BRN: 2082362 · 2082362
InChI: 1S/C7H6Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2
InChIKey: FVJIUQSKXOYFKG-UHFFFAOYSA-N
SMILES: Clc1c(ccc(c1)CO)Cl
CAS DataBase Reference: 1805 · 1805-32-9(CAS DataBase Reference)
FDA UNII: 2 EM844U91 · G2EM844U91
NIST Chemistry Reference: 3 · 3,4-Dichlorobenzyl alcohol(1805-32-9)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 261 · P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
target organs: Respiratory system
Hazard Codes: T,Xi,Xn,N
Risk Statements: 23 · 23/24/25-21/22-51/53-41-37/38-22
Safety Statements: 27 · 27-28-36/37/39-45-36/37-61-26
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29062900 · 29062900
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 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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

Regulatory InformationChemical: Benzenemethanol, 3,4-dichloro-

Hazard Classes and CategoriesAcute Tox. 4 (95.7%)

Safety data

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29062900
risk_code: 23/24/25-21/22-51/53-41-37/38-22
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: T,Xi,Xn,N
hazard_note: Irritant
safety_code: 27-28-36/37/39-45-36/37-61-26
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
packing_group: III
target organs: Respiratory system
Hazard statements: H302-H315-H318-H335
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2,4-Dichlorobenzyl alcohol impurity C EP Reference standard, intended for use in laboratory tests only as specifically prescribed in the European Pharmacopoeia.