CAS 2419-74-1 1,4-Dichloro-2-butanol (HCID 17021)

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Basic information

CAS: 2419-74-1
Standard SMILES: OC(CCl)CCCl
InChIKey: CKNNDWZSFAPUJS-UHFFFAOYSA-N
Molecular formula: C4H8Cl2O
Average molar mass: 143.01 g/mol
Monoisotopic mass: 141.9952203

Names & identifiers

Preferred name: 1,4-Dichloro-2-butanol
IUPAC: 1,4-dichlorobutan-2-ol
English name: 1,4-Dichloro-2-butanol
Molecular formula: C4H8Cl2O
Molecular weight: 143.01

Names & synonyms

1,4-Dichloro-2-butanol2419-74-12-Butanol, 1,4-dichloro-1L7Q1Q553NEINECS 219-339-2UNII-1L7Q1Q553NRefChem:732271,4-DICHLORO-2-BUTANOL, (+-)-219-339-2CKNNDWZSFAPUJS-UHFFFAOYSA-N1,4-Dichlorobutan-2-olMFCD00191343

Show more names

dichlorobutanol1,4-Dichloro-2-butanol>DI CHLORIDE NORMAL BUTANOL1,4-DICHLORO-2-BUTANOL 95+%

1,4-Dichloro-2-butanol #SCHEMBL135186SCHEMBL7869248DTXSID00947007AKOS015960395SB84263AS-57748SY054943

Database identifiers

CAS: 2419-74-1
PubChem CID: 17021
DTXSID: DTXSID00947007
UNII: 1L7Q1Q553N
EC Number: 219-339-2
Nikkaji: J216.060I

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 40

Physicochemical properties

Boiling point: 90 · 90-95 °C(Press: 18 Torr)
Density: 1 · 1,29 g/cm3
refractive index: 1.48 to · 1.4800 to 1.4830
pka: 13.58 · 13.58±0.20(Predicted)
form: clear liquid
color: Colorless to Light yellow
FDA UNII: 1 L7Q1Q553N · 1L7Q1Q553N
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319
Precautionary statements: 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
HS Code: 2905599890 · 2905599890

Safety & regulation

Safety data

hs_code: 2905599890
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302+H312+H332-H315-H319
Precautionary statements: P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312