Dodecane, 1-isocyanato-
Basic information
- CAS
4202-38-4- Standard SMILES
CCCCCCCCCCCCN=C=O- InChIKey
YIDSTEJLDQMWBR-UHFFFAOYSA-N- Molecular formula
- C13H25NO
- Average molar mass
- 211.34 g/mol
- Monoisotopic mass
- 211.19361442
Names & identifiers
- Preferred name
- Dodecane, 1-isocyanato-
- IUPAC
- 1-isocyanatododecane
- English name
- Dodecyl isocyanate
- Molecular formula
- C13H25NO
- Molecular weight
- 211.34
Names & synonyms
Dodecyl isocyanateDodecane, 1-isocyanato-EINECS 224-111-0DTXSID6063351RefChem:135416DTXCID3040019224-111-0YIDSTEJLDQMWBR-UHFFFAOYSA-N4202-38-41-Isocyanatododecanen-dodecylisocyanateMFCD00041744
Show more names
JACS-4202-38-4LAURYL ISOCYANATE1-isocyanato-dodecanDodecylIsocyanate>Dodecyl isocyanate,99%Dodecyl isocyanate 99%
Dodecylisocyanate1-dodecyl isocyanaten-dodecyl isocyanate1-Isocyanatododecane #Dodecyl isocyanate, 99%MN9EK69XA2A825722Isocyanic Acid Dodecyl Ester
Database identifiers
- CAS
4202-38-4- PubChem CID
- 77873
- DTXSID
DTXSID6063351- UNII
- MN9EK69XA2
- EC Number
- 224-111-0
- Nikkaji
- J27.133K
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 157 · 157-161 °C/21 mmHg (lit.)
- Density
- 0.877 g/mL · 0.877 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.441(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 0 · 0-10°C
- form
- clear liquid to slightly cloudy liquid
- color
- Colorless to Almost colorless
- Water Solubility
- negligible soluble
- Sensitive
- Moisture Sensitive
- BRN
- 1774823 · 1774823
- CAS DataBase Reference
- 4202 · 4202-38-4(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · Dodecane, 1-isocyanato- (4202-38-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS08
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
H302 (86.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 19-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23216
Hazard Classes and CategoriesAcute Tox. 4 (86.8%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2206 6.1/PG 3
- hs_code
- 2929.10.8090
- risk_code
- 20/21/22-36/37/38-41-42
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 26-36/37/39-45-37/39-23
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302+H312+H332-H315-H317-H318-H334-H335
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDodecane, 1-isocyanato-: INACTIVE
Applications
Uses1-Dodecyl isocyanate, is incorporated in AZT analogue preparation through it use ine the synthesis of carbodiimides from phosphinimines.
Related reactions
24 records
Compound notes
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