Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 10486Generated: October 23, 2026

tert-BUTYL CHLORIDE

https://huagongshe.com/en/chemical/10486

tert-BUTYL CHLORIDE molecular structure

Identifiers & Physical Properties

CAS No.507-20-0
Molecular formulaC4H9Cl
Average molar mass92.57 g/mol
Monoisotopic mass92.03927797 g/mol
SMILESCC(C)(C)Cl
InChIKeyNBRKLOOSMBRFMH-UHFFFAOYSA-N
PubChem CID10486
ChEMBLCHEMBL346997
EC No.208-066-4
DTXSIDDTXSID2023937

Chemical & Physical Properties

XLogP1.8
Topological polar surface area0
Hydrogen bond donors0
Hydrogen bond acceptors0
Rotatable bonds0
Heavy atoms5
Formal charge0
Complexity25.1
Chemical classesFlammable agents - 3rd degree
SolventsSolvents -> Chlorinated Aliphatics
SpringerMaterials PropertiesDunham energy parameter
PesticidesPesticide -> EPA IRIS
LogP (partition coefficient)1.82
Density0.87 @25 °C0.8511 g/cm3
Boiling point50.9 °C @760 [mm Hg]
Vapor pressure302.0 [mmHg]
Physical DescriptionLiquid[Merck Index] Hygroscopic liquid[Sigma-Aldrich MSDS]
Melting point-26 °C

Safety & Regulations

GHS classificationDangerH225 (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.H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
Regulatory informationChemical: Propane, 2-chloro-2-methyl-Status: Active Update: 10-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/238072-Chloro-2-methylpropane: Does not have an individual approval but may be used under an appropriate group standardThe 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 summarySymptoms 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 CategoriesFlam. Liq. 2 (100%)Flammable liquids - Category 2Flammable agents - 3rd degree
Protective Action Criteria (PAC)8.7 [mg/m3]96 [mg/m3]570 [mg/m3]
Adverse effectsNeurotoxin - Acute solvent syndrome
EPA IRIS Informationt-Butylchloride