1-Methyl-1H-imidazole-2-carbonyl chloride

HCID 22646752
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Basic information

CAS
62366-45-4
Standard SMILES
Cn1ccnc1C(=O)Cl
InChIKey
FYAOUFIFNWYZQR-UHFFFAOYSA-N
Molecular formula
C5H5ClN2O
Average molar mass
144.56 g/mol
Monoisotopic mass
144.00904046

Names & identifiers

Preferred name
1-Methyl-1H-imidazole-2-carbonyl chloride
IUPAC
1-methylimidazole-2-carbonyl chloride
English name
1-METHYL-1H-IMIDAZOLE-2-CARBONYL CHLORIDE,97%
Molecular formula
C5H5ClN2O
Molecular weight
144.56

Names & synonyms

1-Methyl-1H-Imidazole-2-Carbonyl Chloride62366-45-4DTXSID00627296RefChem:231482DTXCID705780491-methylimidazole-2-carbonyl chloriden-methyl-2-imidazoylchloride1-methyl-1H-imidazole-2-carboxylic acid chlorideSCHEMBL711909FYAOUFIFNWYZQR-UHFFFAOYSA-NMFCD04972638AKOS006294429
Show more names
1H-Imidazole-2-carbonyl chloride, 1-methyl-1-METHYL-1H-IMIDAZOLE-2-CARBON (MFCD04972638)1-METHYL-1H-IMIDAZOLE-2-CARBONYL CHLORIDE,97%
1-methyl1h-imidazole-2-carbonyl chloride1-Methyl-1H-Imidazole-2-CarbonylChlorideEN300-1716831

Database identifiers

CAS
62366-45-4
PubChem CID
22646752
DTXSID
DTXSID00627296
EC Number
111-542-3

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
34.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
9

Physicochemical properties

Boiling point
275.1 · 275.1±23.0 °C(Predicted)
Density
1.37 · 1.37±0.1 g/cm3(Predicted)
pka
2.81 · 2.81±0.25(Predicted)
form
solid
InChI
1S/C5H5ClN2O/c1-8-3-2-7-5(8)4(6)9/h2-3H,1H3
InChIKey
FYAOUFIFNWYZQR-UHFFFAOYSA-N

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
WGK 3
Signal word
Warning
Symbol(GHS)
GHS07,GHS09
Storage Class
11 - Combustible Solids
Hazard statements
H315-H317-H319-H400
Hazard Classifications
Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1

Chemistry & industry

Upstream & downstream products

Suppliers9 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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