1-Methyl-1H-imidazol-5-yl isocyanate

HCID 17750384CAS 499770-99-9
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Basic information

Standard SMILES
Cn1cncc1N=C=O
InChIKey
IPPSQWDVJQVAJK-UHFFFAOYSA-N
Molecular formula
C5H5N3O
Average molar mass
123.11 g/mol
Monoisotopic mass
123.04326178

Names & identifiers

Preferred name
1-Methyl-1H-imidazol-5-yl isocyanate
IUPAC
5-isocyanato-1-methylimidazole
English name
1-Methyl-1H-imidazol-5-yl isocyanate
Molecular formula
C5H5N3O
Molecular weight
123.11

Names & synonyms

499770-99-91-Methyl-1H-imidazol-5-yl isocyanate5-isocyanato-1-methylimidazole5-isocyanato-1-methyl-1H-imidazole1-methyl-1h-imidazol-5-ylisocyanateSCHEMBL3054409DTXSID00590476MFCD05664671AKOS006230552SY296830DB-0080635-isocyanato-1-methyl-(9CI)
Show more names
1H-Imidazole, 5-isocyanato-1-methyl-1H-Imidazole,5-isocyanato-1-methyl-(9CI)1-Methyl-1H-imidazol-5-yl isocyanate ,97%

Database identifiers

CAS
499770-99-9
PubChem CID
17750384
DTXSID
DTXSID00590476

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
47.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
9

Physicochemical properties

Boiling point
263 ℃ · 263℃
Density
1.22 · 1.22
Flash point
113 ℃ · 113℃
pka
5.56 · 5.56±0.22(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers10 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340

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