693-13-0

Name N,N'-Diisopropylcarbodiimide
CAS 693-13-0
EINECS(EC#) 211-743-7
Molecular Formula C7H14N2
MDL Number MFCD00065689
Molecular Weight 126.2
MOL File 693-13-0.mol

Chemical Properties

Appearance Colorless to pale yellow liquid
Melting point  210-2120C (dec)
Boiling point  145-148 °C(lit.)
density  0.815 g/mL at 20 °C(lit.)
vapor pressure  34.9hPa at 55.46℃
refractive index  n20/D 1.433(lit.)
Fp  93 °F
storage temp.  2-8°C
solubility  Soluble in chloroform, methylene chloride, acetonitrile, dioxane, dimethylformamide andtetrahydrofuran.
form  Liquid
color  Clear colorless to yellow
Sensitive  Moisture Sensitive
Usage Used as an antineoplastic. Used in the treatment of malignant melanoma and sarcomas
Detection Methods GC,NMR
BRN  878281
Henry's Law Constant 9.9×10-3 mol/(m3Pa) at 25℃, HSDB (2015)
Stability: Volatile
Major Application peptide synthesis
InChI 1S/C7H14N2/c1-6(2)8-5-9-7(3)4/h6-7H,1-4H3
Contact allergens
It is used in peptide chemistry as a coupling reagent. It is very toxic and causes contact dermatitis in labora- tory workers.
InChIKey BDNKZNFMNDZQMI-UHFFFAOYSA-N
SMILES CC(C)N=C=NC(C)C
LogP 4.11 at 20℃
CAS DataBase Reference 693-13-0(CAS DataBase Reference)
NIST Chemistry Reference 2-Propanamine, N,N'-methanetetraylbis-(693-13-0)
Storage Precautions Moisture sensitive
EPA Substance Registry System 693-13-0(EPA Substance)

Safety Data

Symbol(GHS)  Flame (GHS02)Corrosion (GHS05)Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS02,GHS05,GHS06,GHS08
Signal word  Danger
Hazard statements  H226-H317-H318-H330-H334
Precautionary statements  P210-P233-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazard Codes  T+,T,F
Risk Statements 
R10:Flammable.
R26:Very Toxic by inhalation.
R36/37/38:Irritating to eyes, respiratory system and skin .
R41:Risk of serious damage to eyes.
R42/43:May cause sensitization by inhalation and skin contact .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S38:In case of insufficient ventilation, wear suitable respiratory equipment .
S16:Keep away from sources of ignition-No smoking .
RIDADR  UN 2929 6.1/PG 1
WGK Germany  3
RTECS  FF2175000
F  10-21
Hazard Note  Flammable/Highly Toxic/
TSCA  Yes
REACH Registrations Active
HazardClass  6.1
PackingGroup  II
HS Code  29252000
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 1 Inhalation
Eye Dam. 1
Flam. Liq. 3
Resp. Sens. 1
Skin Sens. 1
Hazardous Substances Data 693-13-0(Hazardous Substances Data)

Hazard Information

Material Safety Data Sheet(MSDS)

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