Basic information
- CAS
175136-84-2- Standard SMILES
N#CCc1cccc(CC#N)c1F- InChIKey
JUBROZINNOMDLD-UHFFFAOYSA-N- Molecular formula
- C10H7FN2
- Average molar mass
- 174.17 g/mol
- Monoisotopic mass
- 174.05932639
Names & identifiers
- Preferred name
- 2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile
- IUPAC
- 2-[3-(cyanomethyl)-2-fluorophenyl]acetonitrile
- English name
- 2-FLUOROBENZENE-1,3-DIACETONITRILE
- Molecular formula
- C10H7FN2
- Molecular weight
- 174.17
Names & synonyms
175136-84-22,2'-(2-Fluoro-1,3-phenylene)diacetonitrileDTXSID00371085RefChem:242059DTXCID603221191,3-Bis(cyanomethyl)-2-fluorobenzene2-[3-(cyanomethyl)-2-fluorophenyl]acetonitrile2-Fluorobenzene-1,3-diacetonitrileMaybridge1_003226HMS550K14SBB088896AKOS006230618
Show more names
1,3-Benzenediacetonitrile, 2-fluoro-1,3-Bis(cyanomethyl)-2-fluorobenzene97%1,3-Bis(cyanomethyl)-2-fluorobenzene 97%2-[3-(CYANOMETHYL)-2-FLUOROPHENYL]ACETONITRILE 2-FLUOROBENZENE-1,3-DIACETONITRILE
DB-0177892-[3-(cyanomethyl)-2-fluorophenyl]ethanenitrile
Database identifiers
- CAS
175136-84-2- PubChem CID
- 2736018
- DTXSID
DTXSID00371085
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Melting point
- 75 °C · 75 °C
- Boiling point
- 327.5 · 327.5±32.0 °C(Predicted)
- Density
- 1.192 · 1.192±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- CAS DataBase Reference
- 175136 · 175136-84-2(CAS DataBase Reference)
- Hazard Codes
- T
- Risk Statements
- 23 · 23/24/25
- Safety Statements
- 36 · 36/37/39-45
- HazardClass
- TOXIC
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2926907090
- risk_code
- 23/24/25
- hazard_code
- T
- safety_code
- 36/37/39-45
- hazard_class
- TOXIC
Chemistry & industry
Suppliers11 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
JACS-郑州杰克斯化工产品有限公司0371-86259281 13223061139 · [email protected]
河南梦泰医药科技有限公司17634413542 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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