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25761-72-2 molecular structure
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N,N-bis(prop-2-en-1-yl)carbamoyl chloride

ChemBase ID: 151355
Molecular Formular: C7H10ClNO
Molecular Mass: 159.6134
Monoisotopic Mass: 159.04509163
SMILES and InChIs

SMILES:
C=CCN(CC=C)C(=O)Cl
Canonical SMILES:
C=CCN(C(=O)Cl)CC=C
InChI:
InChI=1S/C7H10ClNO/c1-3-5-9(6-4-2)7(8)10/h3-4H,1-2,5-6H2
InChIKey:
MGQPJLWKFQNTOZ-UHFFFAOYSA-N

Cite this record

CBID:151355 http://www.chembase.cn/molecule-151355.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-bis(prop-2-en-1-yl)carbamoyl chloride
IUPAC Traditional name
N,N-bis(prop-2-en-1-yl)carbamoyl chloride
Synonyms
Diallylcarbamyl chloride
二烯丙基氨基甲酰氯
CAS Number
25761-72-2
MDL Number
MFCD02093718
PubChem SID
24874023
162245509
PubChem CID
3449313

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
518476 external link Add to cart Please log in.
Data Source Data ID
PubChem 3449313 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8862902  LogD (pH = 7.4) 1.8862902 
Log P 1.8862902  Molar Refractivity 43.2977 cm3
Polarizability 16.22161 Å3 Polar Surface Area 20.31 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
214-220 °C(lit.) expand Show data source
Flash Point
185 °F expand Show data source
85 °C expand Show data source
Density
1.069 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.48(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
1760 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-27-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
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 1760 8/PG 3 expand Show data source
Purity
97% expand Show data source
Linear Formula
(H2C=CHCH2)2NCOCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 518476 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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