tert-BUTYL CHLORIDE

HCID 10486CAS 507-20-0

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)(C)Cl
InChIKey: NBRKLOOSMBRFMH-UHFFFAOYSA-N
Molecular formula: C4H9Cl
Average molar mass: 92.57 g/mol
Monoisotopic mass: 92.03927797

Names & identifiers

Preferred name: tert-BUTYL CHLORIDE
IUPAC: 2-chloro-2-methylpropane
English name: tert-Butyl chloride
Molecular formula: C4H9Cl
Molecular weight: 92.56726

Names & synonyms

2-Chloro-2-methylpropane507-20-0tert-Butyl chloridePropane, 2-chloro-2-methyl-TrimethylchloromethaneChlorotrimethylmethanetert-Butylchloride2-Chloroisobutanet-Butylchloride2-Methyl-2-chloropropane2-Methyl-2-propyl chlorideNSC 6527

Show more names

DTXSID2023937EINECS 208-066-4JN2YO95TZ0BRN 1730872CCRIS 9388AI3-30754NSC-6527BUTYL CHLORIDE, TERT-

Database identifiers

CAS: 507-20-0
PubChem CID: 10486
DTXSID: DTXSID2023937
ChEMBL: CHEMBL346997
UNII: JN2YO95TZ0
EC Number: 208-066-4
Nikkaji: J2.614J

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 0
Complexity: 25.1

Experimental & physicochemical properties

Chemical ClassesFlammable agents - 3rd degree

SolventsSolvents -> Chlorinated Aliphatics

SpringerMaterials PropertiesDunham energy parameter

PesticidesPesticide -> EPA IRIS

LogP1.82

Density0.87 @25 °C

Physicochemical properties

Melting point: -26 °C · -26 °C
Boiling point: 50.9 °C · 50.9 °C
Density: 0.8511 g/cm3 · 0.8511 g/cm3

Safety & regulation

GHS classification

GHS Classification · 6 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)

Aggregated GHS information provided per 93 reports by companies from 5 notifications to the ECHA C&L Inventory.

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

Hazard information

Regulatory Information · 4 items

Chemical: Propane, 2-chloro-2-methyl-

Status: Active Update: 10-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/23807

2-Chloro-2-methylpropane: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazards Summary · 1 item

Symptoms possibly indicative of neurotoxicity (disturbed coordination, reduced motility, hunched posture, etc.) observed in oral lethal-dose study of rats; [EPA - TSCATS] May cause irritation; [Sigma-Aldrich MSDS] See 2-Chlorobutane and n-Butyl chloride.

Hazard Classes and Categories · 3 items

Flam. Liq. 2 (100%)

Flammable liquids - Category 2

Flammable agents - 3rd degree