3-Chloro-1-butyne

HCID 30443

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Basic information

CAS: 21020-24-6
Standard SMILES: C#CC(C)Cl
InChIKey: PZFBULOUMNPBFA-UHFFFAOYSA-N
Molecular formula: C4H5Cl
Average molar mass: 88.53 g/mol
Monoisotopic mass: 88.00797784

Names & identifiers

Preferred name: 3-Chloro-1-butyne
IUPAC: 3-chlorobut-1-yne
English name: 3-CHLORO-1-BUTYNE
Molecular formula: C4H5Cl
Molecular weight: 88.54

Names & synonyms

3-CHLORO-1-BUTYNE21020-24-61-Butyne, 3-chloro-3-Chlorobut-1-yneMFCD00143109EINECS 244-151-2(rac)-3-chloro-but-1-yneSCHEMBL1109969SCHEMBL1421199SCHEMBL32273613-Chloro-1-butyne, AldrichCPRDTXSID70871320

Show more names

3-Chlorbut-1-in3-chloro-1-butyn2-Chloro-3-butyne3-Chloro-1-butyne >3-CHLORO-1-BUTYNE 98+%

AKOS015848669SY054969C1195NS00050921F8009663-Chloro-1-butyne, inverted exclamation markO98%

Database identifiers

CAS: 21020-24-6
PubChem CID: 30443
DTXSID: DTXSID70871320
EC Number: 244-151-2
Nikkaji: J225.378J

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 0
Complexity: 57.3

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Aliphatics, Unsaturated

Vapor Pressure140.0 [mmHg]

Physical DescriptionClear colorless liquid; [TCI America MSDS]

Physicochemical properties

Melting point: -93.5 °C · -93.5°C (estimate)
Boiling point: 68 °C · 68°C
Density: 0 · 0,96 g/cm3
refractive index: 1.423 · 1.4230-1.4270
form: clear liquid
color: Colorless to Light yellow to Light orange
CAS DataBase Reference: 21020 · 21020-24-6
EPA Substance Registry System: 1 · 1-Butyne, 3-chloro- (21020-24-6)
Symbol(GHS): 2 · GHS02
Signal word: Danger
Hazard statements: 225 · H225
Precautionary statements: 210 · P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Risk Statements: 11 · 11
Safety Statements: 9 · 9-16-33
RIDADR: 1993 · 1993
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 2903.29 · 2903.29.0000
HazardClass: 3 · 3
PackingGroup: II

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazards SummaryA lachrymator; [TCI America MSDS] See 1-Butyne and 1,4-Dichloro-2-butyne.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Toxicology

Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.

Safety data

wgk: 3
tsca: TSCA listed
ridadr: 1993
hs_code: 2903.29.0000
risk_code: 11
Signal word: Danger
Symbol(GHS): GHS02
safety_code: 9-16-33
hazard_class: 3
packing_group: II
Hazard statements: H225
Precautionary statements: P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501