Home > Compound List > Compound details
6092-54-2 molecular structure
click picture or here to close

hexyl chloroformate

ChemBase ID: 87208
Molecular Formular: C7H13ClO2
Molecular Mass: 164.62992
Monoisotopic Mass: 164.06040734
SMILES and InChIs

SMILES:
O(CCCCCC)C(=O)Cl
Canonical SMILES:
CCCCCCOC(=O)Cl
InChI:
InChI=1S/C7H13ClO2/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3
InChIKey:
KIWBRXCOTCXSSZ-UHFFFAOYSA-N

Cite this record

CBID:87208 http://www.chembase.cn/molecule-87208.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hexyl chloroformate
chloro(hexyloxy)methanone
IUPAC Traditional name
hexyl chloroformate
chloro(hexyloxy)methanone
Synonyms
Hexyl carbonochloridoate
Hexyl chloroformate 97%
Hexyl carbonochloridate
Hexyl chloroformate
氯甲酸正己酯
CAS Number
6092-54-2
EC Number
228-036-4
MDL Number
MFCD00000651
PubChem SID
24855236
162074324
PubChem CID
22466

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22466 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1423113  LogD (pH = 7.4) 3.1423113 
Log P 3.1423113  Molar Refractivity 41.2014 cm3
Polarizability 16.303886 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
60-61 °C/7 mmHg(lit.) expand Show data source
78°C/18mm expand Show data source
Flash Point
143.6 °F expand Show data source
61°C expand Show data source
62 °C expand Show data source
Density
1.007 g/mL at 25 °C(lit.) expand Show data source
1.01 expand Show data source
Refractive Index
n20/D 1.424(lit.) expand Show data source
Vapor Pressure
0.06 psi ( 20 °C) expand Show data source
Storage Warning
Toxic/Corrosive/Moisture Sensitive/Keep Cold expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
3277 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
23/24/25-34 expand Show data source
Safety Statements
26-27-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H311-H314-H331 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3277 6.1/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Linear Formula
ClCO2(CH2)5CH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 252778 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle