Dodecyl chloroformate
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Basic information
- CAS
24460-74-0- Standard SMILES
CCCCCCCCCCCCOC(=O)Cl- InChIKey
AFPOMDNRTZLRMD-UHFFFAOYSA-N- Molecular formula
- C13H25ClO2
- Average molar mass
- 248.79 g/mol
- Monoisotopic mass
- 248.15430772
Names & identifiers
- Preferred name
- Dodecyl chloroformate
- IUPAC
- dodecyl carbonochloridate
- English name
- Lauryl chloroformate
- Molecular formula
- C13H25ClO2
- Molecular weight
- 248.79
Names & synonyms
dodecyl carbonochloridate24460-74-0Lauryl ChloroformateDodecyl chloroformateChloroformic Acid Dodecyl EsterChloroformic Acid Lauryl EsterCarbonochloridic acid, dodecyl esterJRN953UF5SEINECS 246-272-6DTXSID70179217RefChem:590300DTXCID00101708
Show more names
LAURYLCHLOPOFORMATEN-DODECYLCHLOROFORMATEDodecylChloroformate>LAURYL CHLOROFORMATE 98%Dodecyl chloroforMate ester
246-272-6MFCD00059483n-dodecyl chloroformateLaurylchloroformateUNII-JRN953UF5SDodecyl chloroformate, 98%SCHEMBL335168AKOS015899966
Database identifiers
- CAS
24460-74-0- PubChem CID
- 90513
- DTXSID
DTXSID70179217- UNII
- JRN953UF5S
- EC Number
- 246-272-6
- Nikkaji
- J287.261G
Properties
Computed structural propertiesFilling in
- XLogP
- 6.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 168 °C · 168 °C / 20mmHg
- Density
- 0.922 g/mL · 0.922 g/mL at 25 °C(lit.)
- vapor pressure
- 1.33 mm · 1.33 mm Hg ( 20 °C)
- refractive index
- 20 · n20/D 1.442(lit.)
- Flash point
- 230 °F · 230 °F
- form
- clear liquid
- color
- Colorless to Light yellow
- InChI
- InChI=1S/C13H25ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15/h2-12H2,1H3
- InChIKey
- AFPOMDNRTZLRMD-UHFFFAOYSA-N
- SMILES
- C(Cl)(OCCCCCCCCCCCC)=O
- CAS DataBase Reference
- 24460 · 24460-74-0(CAS DataBase Reference)
- FDA UNII
- 953 UF5S · JRN953UF5S
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 290 · H290-H300+H310+H330-H314
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
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 92 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 CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29159000
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- C
- safety_code
- 26-27-36/37/39
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H290-H300+H310+H330-H314
- 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
- P234-P260-P262-P264-P270-P271-P280-P284-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P403+P233-P405-P406-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
9 records
Compound notes
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