Basic information
- CAS
1354705-14-8- Standard SMILES
Cn1ncc(I)c1C#N- InChIKey
DMBVBDZEWDWKPQ-UHFFFAOYSA-N- Molecular formula
- C5H4IN3
- Average molar mass
- 233.01 g/mol
- Monoisotopic mass
- 232.94499
Names & identifiers
- Preferred name
- 4-Iodo-1-methyl-1H-pyrazole-5-carbonitrile
- IUPAC
- 4-iodo-1-methylpyrazole-5-carbonitrile
- English name
- 1H-Pyrazole-5-carbonitrile, 4-iodo-1-methyl-
- Molecular formula
- C5H4IN3
- Molecular weight
- 233.01
Names & synonyms
4-Iodo-1-methyl-1H-pyrazole-5-carbonitrile1354705-14-84-iodo-2-methylpyrazole-3-carbonitrileMFCD245395211H-Pyrazole-5-carbonitrile, 4-iodo-1-methyl-4-iodo-1-methylpyrazole-5-carbonitrile4-Iodo-2-methyl-2H-pyrazole-3-carbonitrileSCHEMBL16176810SCHEMBL17600247DMBVBDZEWDWKPQ-UHFFFAOYSA-NEEC70514EOS-61291
Show more names
SBB073995XH1114AKOS0159208334-iodo-2-methyl-pyrazole-3-carbonitrileAS-39827SY124535CS-00382214-Iodo--1-methyl-1H-pyrazol-5-carbonitrile
Database identifiers
- CAS
1354705-14-8- PubChem CID
- 60136631
- EC Number
- 113-866-0
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Boiling point
- 335.1 · 335.1±27.0 °C(Predicted)
- Density
- 2.05 · 2.05±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- -2.43 · -2.43±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers23 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
德州博腾精细化工有限公司[email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
湖州澄博生物科技有限公司13626726938
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海索本生物科技有限公司15088289376;13917786310 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
3 records
Compound notes
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