tert-BUTYL CHLORIDE
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Basic information
- CAS
507-20-0- 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 propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 0 Ų
- 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
Boiling Point50.9 °C @760 [mm Hg]
Vapor Pressure302.0 [mmHg]
Physical DescriptionLiquid; [Merck Index] Hygroscopic liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -26 °C · -26 °C
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
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
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
Flam. Liq. 2 (100%)
Flammable liquids - Category 2
Flammable agents - 3rd degree
Safety & protection
Protective Action Criteria (PAC)
Chemistry & industry
Uses & manufacturing
UsesUsed as an intermediate in synthesis; EPA - TSCATS] Used to make fine chemicals; [ECHA REACH Registrations]
General Manufacturing InformationPropane, 2-chloro-2-methyl-: ACTIVE
Related reactions
108 records
Compound notes
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