Basic information
- CAS
868166-20-5- Standard SMILES
N#Cc1cc(C(F)(F)F)ccc1I- InChIKey
KSPKCPNOVAIBEE-UHFFFAOYSA-N- Molecular formula
- C8H3F3IN
- Average molar mass
- 297.02 g/mol
- Monoisotopic mass
- 296.92623176
Names & identifiers
- Preferred name
- 2-Iodo-5-(trifluoromethyl)benzonitrile
- IUPAC
- 2-iodo-5-(trifluoromethyl)benzonitrile
- English name
- Benzonitrile, 2-iodo-5-(trifluoroMethyl)-
- Molecular formula
- C8H3F3IN
- Molecular weight
- 297.02
Names & synonyms
2-iodo-5-(trifluoromethyl)benzonitrile868166-20-5BENZONITRILE, 2-IODO-5-(TRIFLUOROMETHYL)-MFCD18398159SCHEMBL531358DTXSID30693641CL8986AKOS025403881AS-10074SY204433CS-0006986EN300-224449
Show more names
FT-0703237TJB16620DA-01929F334179
Database identifiers
- CAS
868166-20-5- PubChem CID
- 53363644
- DTXSID
DTXSID30693641
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 270.9 · 270.9±40.0 °C(Predicted)
- Density
- 1.95 · 1.95±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- Appearance
- Yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety data
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers35 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
济宁横渠生物技术有限公司18118824509 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
山东宜仁药业有限公司531-87922518 15628888630 · [email protected]
南京普鑫医药科技有限公司17366295326 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13062833949 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
新沂德米特生物科技有限公司16503038585 · [email protected]
Changzhou Ansciep Chemical Co., Ltd.+86 519 86305871 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
徐州砥研医药科技有限公司0516-0516-88997009 18651776937 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
新沂华琚医药科技有限公司13761372795 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
上海宏驹医药科技有限公司18001895509 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
22 records
Compound notes
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