CAS 55488-51-2 Decyl chloroformate (HCID 108727)

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Basic information

CAS: 55488-51-2
Standard SMILES: CCCCCCCCCCOC(=O)Cl
InChIKey: AZZCHVHSWUYCQA-UHFFFAOYSA-N
Molecular formula: C11H21ClO2
Average molar mass: 220.73 g/mol
Monoisotopic mass: 220.12300759

Names & identifiers

Preferred name: Decyl chloroformate
IUPAC: decyl carbonochloridate
English name: Chloroformic acid n-decyl ester
Molecular formula: C11H21ClO2
Molecular weight: 220.74

Names & synonyms

Decyl chloroformateCarbonochloridic acid, decyl esterEINECS 259-668-9DTXSID40204065RefChem:131357DTXCID40126556259-668-9AZZCHVHSWUYCQA-UHFFFAOYSA-Ndecyl carbonochloridate55488-51-2chloro(decyloxy)methanoneChloroformic Acid Decyl Ester

Show more names

ecylcarbonochloridateDecyl Chloroformate >Chloro(decyloxy)methanone

chloroformic acid n-decyl esterMFCD00126853c1357n-decyl chloroformatedecanyl chloroformatedecylcarbonochloridatedec-1-yl chlorocarbonateDecyl chloroformate, 97%

Database identifiers

CAS: 55488-51-2
PubChem CID: 108727
DTXSID: DTXSID40204065
UNII: 6VH3M94VS7
EC Number: 259-668-9
Nikkaji: J57.773A

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 10
Heavy atoms: 14
Formal charge: 0
Complexity: 137

Physicochemical properties

Boiling point: 226 · 226-227 °C (lit.)
Density: 0.956 g/mL · 0.956 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.438(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
form: clear liquid
color: Colorless to Almost colorless
InChI: 1S/C11H21ClO2/c1-2-3-4-5-6-7-8-9-10-14-11(12)13/h2-10H2,1H3
InChIKey: AZZCHVHSWUYCQA-UHFFFAOYSA-N
SMILES: CCCCCCCCCCOC(Cl)=O
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 1760 8/PG 1
hs_code: 2915.90.5010
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-27-36/37/39
hazard_class: 6.1/8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Chemistry & industry

Applications

UsesDecyl chloroformate may be used in the preparation of (S)-(+)-N-decoxycarbonyl-leucine, a chiral surfactant. It may also be used to synthesize decyl chloride via decarboxylation in the presence of dimethylformamide.

General DescriptionDecyl chloroformate is an n-alkyl chloroformate derivative that can be prepared by reacting decyl alcohol with triphosgene.