CAS
90632-49-8 Purity
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90632-49-8 Purity
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1-Methyl-1H-benzimidazole-5-carbonyl chloride hydrochloride
CAS
906352-57-6
Catalog Number
ACM906352576
Category
Other Products
Molecular Weight
231.07862
Molecular Formula
C9H7ClN2O.HCl
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Specification
Synonyms
Y4637; 1-methylbenzimidazole-5-carbonyl chloride,chloride; 1-Methyl-1H-benzimidazole-5-carbonyl chloride hydrochloride;
IUPAC Name
1-methylbenzimidazole-5-carbonyl chloride;hydrochloride
Canonical SMILES
CN1C=NC2=C1C=CC(=C2)C(=O)Cl.Cl
InChI Key
SGNORNZSRSQMEE-UHFFFAOYSA-N
Boiling Point
368ºC at 760 mmHg
Melting Point
227.5-231.5ºC
Flash Point
176.4ºC
Exact Mass
230.00100
Hazard Statements
C: Corrosive;
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of 1-Methyl-1H-benzimidazole-5-carbonyl chloride hydrochloride?
The molecular formula is C9H8Cl2N2O.
When was 1-Methyl-1H-benzimidazole-5-carbonyl chloride hydrochloride created and modified?
It was created on 2008-02-29 and modified on 2023-12-30.
What is the molecular weight of 1-Methyl-1H-benzimidazole-5-carbonyl chloride hydrochloride?
The molecular weight is 231.08 g/mol.
What are some synonyms for 1-Methyl-1H-benzimidazole-5-carbonyl chloride hydrochloride?
Some synonyms include 1-methylbenzimidazole-5-carbonyl chloride;hydrochloride and 1-methyl-1H-1,3-benzodiazole-5-carbonyl chloride hydrochloride.
What is the InChIKey for 1-Methyl-1H-benzimidazole-5-carbonyl chloride hydrochloride?
The InChIKey is SGNORNZSRSQMEE-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in 1-Methyl-1H-benzimidazole-5-carbonyl chloride hydrochloride?
There is 1 hydrogen bond donor count.
What is the topological polar surface area of 1-Methyl-1H-benzimidazole-5-carbonyl chloride hydrochloride?
The topological polar surface area is 34.9 Ų.
How many rotatable bond counts are there in 1-Methyl-1H-benzimidazole-5-carbonyl chloride hydrochloride?
There is 1 rotatable bond count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the EPA DSSTox Substance ID for 1-Methyl-1H-benzimidazole-5-carbonyl chloride hydrochloride?
The EPA DSSTox Substance ID is DTXSID70640179.
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