CAS 5238-27-7 2-Methylvaleryl chloride (HCID 107385)

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Basic information

CAS: 5238-27-7
Standard SMILES: CCCC(C)C(=O)Cl
InChIKey: MFIQXAVMTLKUJR-UHFFFAOYSA-N
Molecular formula: C6H11ClO
Average molar mass: 134.6 g/mol
Monoisotopic mass: 134.04984265

Names & identifiers

Preferred name: 2-Methylvaleryl chloride
IUPAC: 2-methylpentanoyl chloride
English name: 2-METHYLVALERYL CHLORIDE
Molecular formula: C6H11ClO
Molecular weight: 134.6

Names & synonyms

2-Methylvaleryl chloride2-Methylpentanoyl chloride2-Methylvaleroyl chloride.alpha.-Methyl valeroyl chlorideEINECS 226-035-3Pentanoyl chloride, 2-methyl-DTXSID10966789RefChem:88418alpha-Methyl valeroyl chlorideDTXCID901394407226-035-3MFIQXAVMTLKUJR-UHFFFAOYSA-N

Show more names

A-METHYLVALEROYL CHLORIDE2-Methylvalerylchloride,98%2-Methylpentanoic acid chloride(3Z)-4-hydroxy-4-(4-methylphenyl)-2-oxo-N-(1,3-thiazol-2-yl)but-3-enamide

5238-27-72-Methylvalerylchloride2-Methyl-pentanoyl chlorideMFCD000136562-methyvaleryl chloride2-methyl pentanoyl chloride2-methyl-n-pentanoyl chlorideSCHEMBL290488

Database identifiers

CAS: 5238-27-7
PubChem CID: 107385
DTXSID: DTXSID10966789
EC Number: 226-035-3
Nikkaji: J297.951I

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 80.6

Physicochemical properties

Boiling point: 140 · 140-144 °C(lit.)
Density: 0.978 g/mL · 0.978 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.425(lit.)
Flash point: 100 °F · 100 °F
Sensitive: Moisture Sensitive
BRN: 1743993 · 1743993
InChI: InChI=1S/C6H11ClO/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3
InChIKey: MFIQXAVMTLKUJR-UHFFFAOYSA-N
SMILES: C(C)(C(=O)Cl)CCC
CAS DataBase Reference: 5238 · 5238-27-7(CAS DataBase Reference)
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 226 · H226-H314-H318
Precautionary statements: 280 · P280-P305+P351+P338-P308+P313
Hazard Codes: C
Risk Statements

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

wgk: 3
ridadr: UN 2920 8/PG 2
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: C
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: II
Hazard statements: H226-H314-H318
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P280-P305+P351+P338-P308+P313