Related Searches: Benzenamine,4-fluoro-3-(trifluoromethyl)-, 3',5'-Bis(trifluoromethyl)acetophenone, Benzonitrile,4-bromo-2-fluoro-, Cytidine,5'-deoxy-5-fluoro-, 2',3'-diacetate, Benzonitrile, 3-methyl-, View all

Benzonitrile,3-fluoro-5-(trifluoromethyl)-(CAS No. 149793-69-1)

Benzonitrile,3-fluoro-5-(trifluoromethyl)- C8H3F4N (cas 149793-69-1) Molecular Structure

149793-69-1 Structure

Identification and Related Records

【Name】
Benzonitrile,3-fluoro-5-(trifluoromethyl)-
【Iupac name】
3-fluoro-5-(trifluoromethyl)benzonitrile
【CAS Registry number】
149793-69-1
【Synonyms】
3-Fluoro-5-trifluoromethylbenzonitrile
5-Fluoro-3-(trifluoromethyl)benzenecarbonitrile
【Molecular Formula】
C8H3F4N (Products with the same molecular formula)
【Molecular Weight】
189.11
【Inchi】
InChI=1/C8H3F4N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H
【InChIKey】
AYNUKEDZAYOEGG-UHFFFAOYSA-N
【Canonical SMILES】
C1=C(C=C(C=C1C(F)(F)F)F)C#N
【MOL File】
149793-69-1.mol

Chemical and Physical Properties

【Appearance】
White solid
【Density】
1.37 g/cm3
【Boiling Point】
179.9ºC at 760 mmHg
【Vapour】
0.919mmHg at 25°C
【Refractive Index】
1.446
【Flash Point】
65.6 ºC
【Computed Properties】
Molecular Weight:189.109733 [g/mol]
Molecular Formula:C8H3F4N
XLogP3-AA:2.6
H-Bond Donor:0
H-Bond Acceptor:5
Rotatable Bond Count:0
Exact Mass:189.020162
MonoIsotopic Mass:189.020162
Topological Polar Surface Area:23.8
Heavy Atom Count:13
Formal Charge:0
Complexity:226
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
T,Xi,Xn
【Risk Statements】
R20/21/22;R36/38
【Safety Statements 】
S26;S36/37
【HazardClass】
6.1
【Hazard Note】
Toxic
【Safety】

Hazard Codes:T,Xi,Xn
T:ToxicXi:IrritantXn:Harmful
Risk Statements
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36:Wear suitable protective clothing .
RIDADR:3276
Hazard Note:Toxic
HazardClass:6.1
PackingGroup:III 
 

【PackingGroup 】
III
【Transport】
3276

Supplier Location

Top Suppliers

Diamond member Hangzhou Dayangchem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-88938639
Diamond member Hangzhou J&H Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-87396430
Diamond member AOPHARM
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-311-66600578
Diamond member CHANGZHOU YIYUAN BIOTECHNOLOGY LIMITED COMPANY
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-519-82551605
Hui Chem Company Limited
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-21-60542966
Finetech Industry limited.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-87465837
Capot Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-85586718
Shanghai Hope Chem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-21-61723543
Jinan Haohua Industry Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-531-58773055
Atomax Chemicals Co.,Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-755-33239182

Quick Search

Cas    Name

Related products

Benzonitrile,2-fluoro-5-(trifluoromethyl)-

m-Tolunitrile,a,a,a,6-tetrafluoro- (7CI,8CI);2-Fluoro-5-(trifluoromethyl)benzonitrile;

Benzonitrile,5-fluoro-2-(trifluoromethyl)-

5-Fluoro-2-trifluoromethylbenzonitrile;

Benzonitrile,2-fluoro-3-(trifluoromethyl)-

2-Fluoro-3-(trifluoromethyl)benzonitrile;2-Fluor-3-(trifluormethyl)benzolcarbonitril;

3-fluoro-4-(trifluoromethyl)benzonitrile

4-Cyano-2-fluorobenzotrifluoride~alpha,alpha,alpha,3-Tetrafluoro-p-tolunitrile

Benzonitrile,4-fluoro-3-(trifluoromethyl)-

3-Trifluoromethyl-4-fluorobenzonitrile;2-Fluoro-5-cyanobenzotrifluoride;

3-[4-Fluoro-3-(trifluoroMethyl)phenyl]benzonitrile

3-[4-Fluoro-3-(trifluoroMethyl)phenyl]benzonitrile;4'-Fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-3-carbonitrile

Benzonitrile,3-amino-5-fluoro-

3-Amino-5-fluorobenzonitrile;

Benzonitrile,3-fluoro-5-methyl-

3-Cyano-5-fluorotoluene;5-Fluoro-m-tolunitrile;