AG0022TF

1813-33-8 | Benzonitrile, 2-chloro-4-(trifluoromethyl)-

AG0022TF

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CAS Number	1813-33-8
Catalog Number	AG0022TF(AGN-PC-0KK7UP)
Chemical Name	Benzonitrile, 2-chloro-4-(trifluoromethyl)-
IUPAC Name	2-chloro-4-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H3ClF3N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H
InChI Key	GEHMLBFNZKJDQM-UHFFFAOYSA-N
MDL Number	MFCD00084939
Molecular Formula	C8H3ClF3N
Molecular Weight	205.5643
SMILES	N#CC1=CC=C(C(F)(F)F)C=C1Cl
Synonyms	2-Chloro-4-(trifluoromethyl)benzonitrile, 1813-33-8, 3-Chloro-4-cyanobenzotrifluoride, 3-Chloro-4-cyano-benzotrifluoride, Benzonitrile, 2-chloro-4-(trifluoromethyl)-, MFCD00084939, 4-(trifluoromethyl)-2-chlorobenzonitrile, 2-Chloro-4-trifluoromethylbenzonitrile, AK-33802, 2-chloro-4-(trifluoromethyl)benzenecarbonitrile, PubChem4745, ACMC-209eho, buttpark 9757-31, AC1MC5O6, KSC494O6F, SCHEMBL952338, 3-chloro-4-cyanobenzorifluoride, CTK3J4762, DTXSID40371387, 3-chloro-4-cyano benzotrifluoride, BUTTPARK 97\57-31, GEHMLBFNZKJDQM-UHFFFAOYSA-N, ZINC165075, ACT12355, ZX-AP004390, 3-chloro-4-cyanobenzotrifluoride98%, ANW-23050, PC1713, SBB063914, 3-chloro-4-cyanobenzotrifluoride 98%, AKOS005063451, AC-4054, ACM1813338, AF10011, AM61379, AN-1988, AS01738, CM13022, FCH1321402, LS10273, MCULE-4182708576, PS-8096, RP26191, RTC-020049, TRA0043741, VF10039, 2-chloro-4-trifluoromethyl-benzonitrile, AJ-16349, BBV-40197236, BR-33802, CC-14710, CJ-02267, N623, SC-01905, ST088113, SY022617, ZB008417, 2-chloro-4-(trifluoromethyl)-benzonitrile, 2-CHLORO-4-(TRIFLUORO)BENZONITRILE, AB0015923, AB1005408, AX8005559, DB-010989, ST2416700, TC-020049, FT-0615377, 2-chloro-4-(trifluoromethyl)benzonitrile 98%, MFCD00084939 (95%), 2-Chloro-4-(trifluoromethyl)benzonitrile, 97%, S-8017, 813C338, C-10191, 3S101785, 3S210988, I01-3325, 2-CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUORO-P-TOLUNITRILE, C8H3ClF3N, ZINC00165075, ACN-055975, CID2736476, 2-CHLORO-4-CYANOBENZOTRIFLUORIDE, C2599,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.991g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	205.564g/mol
Monoisotopic Mass	204.991g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number