Basic information
- CAS
132927-08-3- Standard SMILES
COc1cc(C(F)(F)F)ccc1C#N- InChIKey
IXLCDVCLGOVPBE-UHFFFAOYSA-N- Molecular formula
- C9H6F3NO
- Average molar mass
- 201.14 g/mol
- Monoisotopic mass
- 201.04014847
Names & identifiers
- Preferred name
- 2-Methoxy-4-(trifluoromethyl)benzonitrile
- IUPAC
- 2-methoxy-4-(trifluoromethyl)benzonitrile
- English name
- 2-Methoxy-4-(trifluoromethyl)benzonitrile
- Molecular formula
- C9H6F3NO
- Molecular weight
- 201.15
Names & synonyms
2-Methoxy-4-(trifluoromethyl)benzonitrile132927-08-3MFCD02101784Benzonitrile, 2-methoxy-4-(trifluoromethyl)-2-Cyano-5-(trifluoromethyl)anisoleSCHEMBL5656320DTXSID505972584-cyano-3-methoxybenzotrifluoride, 2-cyano-5-(trifluoromethyl)anisoleSBB092724AKOS015890763AB10922AC-7726
Show more names
injf6812-methoxy-4-(trifluoromethyl)-benzonitril2-Methoxy-4-(trifluoromethyl)benzonitrile99%
PS-6630s10869SY227872DB-0505772-methoxy-4-(trifluoromethyl)benzenecarbonitrileF225172
Database identifiers
- CAS
132927-08-3- PubChem CID
- 19001376
- DTXSID
DTXSID50597258
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 64 · 64-65 °C
- Boiling point
- 90 · 90-92 °C(Press: 2 Torr)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- T
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3276 · 3276
- 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
- ridadr
- 3276
- hs_code
- 2926907090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers35 total
陕西缔都新材料有限公司81124267 17392282731 · [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]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
北京依特能化学科技有限责任公司010-59484199 18611897322;18611897322 · [email protected]
百科源(成都)科技有限公司15021461747 · [email protected]
常州鑫研合医药科技有限公司0519-85252752 15366845260 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
嘉兴瑞驰生物科技有限公司0573-11111111-1111 18969316891 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
新沂德米特生物科技有限公司16503038585 · [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]
Alchem Pharmtech,Inc.8485655694 · [email protected]
新沂华琚医药科技有限公司13761372795 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
陕西伊曼诺医药科技有限公司15683496527 18220923020 · [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]
JACS-郑州杰克斯化工产品有限公司0371-86259281 13223061139 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
郑州浩创新材料有限公司19139721821; 19139721821 · [email protected]
Related reactions
5 records
Compound notes
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