2-Propylvaleryl chloride (HCID 76240)

Names & identifiers

Preferred name: 2-Propylvaleryl chloride
IUPAC: 2-propylpentanoyl chloride
English name: 2,2-DI-N-PROPYLACETYL CHLORIDE
Molecular formula: C8H15ClO
Molecular weight: 162.66

Names & synonyms

2-Propylvaleryl chloride2-Propylpentanoyl chloride2936-08-5Pentanoyl chloride, 2-propyl-SQT2TYW2PRPITHYUDHKJKJNQ-UHFFFAOYSA-DTXSID40183583EINECS 220-914-5VALERYL CHLORIDE, 2-PROPYL-RefChem:483294DTXCID80106074220-914-5

Show more names

Propylvaleroylchloride2-N-PropylvalerylchlorideHeptane-4-carbonylchlorideDI-N-PROPYLACETYL CHLORIDE2-PropylvalerylChloride>2-N-Propylpentanoylchloride

InChI=1/C8H15ClO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H32,2-di-n-Propylacetyl chlorideValproyl Chloride2,2-DI-N-PROPYLACETYLCHLORIDEDipropylacetyl Chloride2-Propylvaleroyl ChlorideMFCD000514462-n-Propyl-n-valeroyl chloride

Database identifiers

CAS: 2936-08-5
PubChem CID: 76240
DTXSID: DTXSID40183583
UNII: SQT2TYW2PR
EC Number: 220-914-5
Nikkaji: J150.904G

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 10
Formal charge: 0
Complexity: 95.4

Physicochemical properties

Boiling point: 68 · 68-70°C 10mm
Density: 0 · 0,95 g/cm3
refractive index: 1.431 · 1.4310-1.4330
Flash point: 68 · 68-70°C/10mm
storage temp.: RT, stored under nitrogen
form: clear liquid
color: Colorless to Light yellow
Water Solubility: Reacts with water.
Sensitive: Moisture Sensitive
BRN: 1098856 · 1098856
InChI: 1S/C8H15ClO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3
InChIKey: PITHYUDHKJKJNQ-UHFFFAOYSA-N
SMILES: CCCC(CCC)C(Cl)=O
CAS DataBase Reference: 2936 · 2936-08-5(CAS DataBase Reference)
FDA UNII: 2 TYW2PR · SQT2TYW2PR
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 318 · H318-H227-H290-H314
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a-P210-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P390-P403+P235-P405-P406-P501 · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a-P210-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P390-P403+P235-P405-P406-P501
Hazard Codes: C,Xn
Risk Statements: 34 · 34-22
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · 3265
WGK Germany: 3 · WGK 3
Hazard Note: Corrosive
HazardClass: 8 · 8
PackingGroup: II
HS Code: 2915907098 · 2915907098
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H290 (16.7%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 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 CategoriesMet. Corr. 1 (16.7%)

Safety data

wgk: WGK 3
ridadr: 3265
hs_code: 2915907098
risk_code: 34-22
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xn
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 11 - Combustible Solids
packing_group: II
Hazard statements: H318-H227-H290-H314
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a-P210-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P390-P403+P235-P405-P406-P501