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26189-59-3 molecular structure
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(1-chloro-2-methylprop-1-en-1-yl)dimethylamine

ChemBase ID: 146167
Molecular Formular: C6H12ClN
Molecular Mass: 133.61918
Monoisotopic Mass: 133.06582707
SMILES and InChIs

SMILES:
CC(=C(N(C)C)Cl)C
Canonical SMILES:
CN(C(=C(C)C)Cl)C
InChI:
InChI=1S/C6H12ClN/c1-5(2)6(7)8(3)4/h1-4H3
InChIKey:
GQIRIWDEZSKOCN-UHFFFAOYSA-N

Cite this record

CBID:146167 http://www.chembase.cn/molecule-146167.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-chloro-2-methylprop-1-en-1-yl)dimethylamine
IUPAC Traditional name
(1-chloro-2-methylprop-1-en-1-yl)dimethylamine
Synonyms
Ghosez′s reagent
1-Chloro-N,N,2-trimethyl-1-propenylamine
1-Chloro-N,N,2-trimethyl-1-propenylamine
Ghosez 试剂
1-氯-N,N,2-三甲基-1-丙烯胺
CAS Number
26189-59-3
MDL Number
MFCD00800562
PubChem SID
162240366
24873186
PubChem CID
640792

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 640792 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1278205  LogD (pH = 7.4) 2.1361442 
Log P 2.1362514  Molar Refractivity 48.486 cm3
Polarizability 14.5036 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
129-130 °C(lit.) expand Show data source
Flash Point
26 °C expand Show data source
78.8 °F expand Show data source
Density
1.01 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.453(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2734 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
1 expand Show data source
Risk Statements
10-34 expand Show data source
Safety Statements
16-26-36/37/39-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-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 2734 8/PG 1 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
96% expand Show data source
Linear Formula
(CH3)2C=C(Cl)N(CH3)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 498270 external link
Application
Conversion of carboxylic acids to acid chlorides under neutral reaction conditions
Packaging
5, 50 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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