AG006YIW

50528-86-4 | Isocyanic Acid 2-Chloro-5-(Trifluoromethyl)Phenyl Ester

AG006YIW

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CAS Number	50528-86-4
Catalog Number	AG006YIW(AGN-PC-0KK5YP)
Chemical Name	Isocyanic Acid 2-Chloro-5-(Trifluoromethyl)Phenyl Ester
IUPAC Name	1-chloro-2-isocyanato-4-(trifluoromethyl)benzene
InChI	InChI=1S/C8H3ClF3NO/c9-6-2-1-5(8(10,11)12)3-7(6)13-4-14/h1-3H
InChI Key	WEPYOPYMWSHRIW-UHFFFAOYSA-N
MDL Number	MFCD00037029
Molecular Formula	C8H3ClF3NO
Molecular Weight	221.5637
SMILES	FC(C1=CC=C(Cl)C(N=C=O)=C1)(F)F
Synonyms	50528-86-4, 2-Chloro-5-(trifluoromethyl)phenyl isocyanate, 1-chloro-2-isocyanato-4-(trifluoromethyl)benzene, Isocyanic Acid 2-Chloro-5-(trifluoromethyl)phenyl Ester, WEPYOPYMWSHRIW-UHFFFAOYSA-N, MFCD00037029, 2-chloro-5-trifluoromethylphenyl isocyanate, 2-Chloro-5-(trifluoromethyl)phenylisocyanate, 2-chloro-5-(trifluoromethyl)benzenisocyanate, PubChem5026, AC1MBYHG, AC1Q4IXC, ACMC-1AQ1J, SCHEMBL58769, CTK3J6822, TIMTEC-BB SBB006656, DTXSID50369816, 1-Mercapto-2-methyl-propan-2-ol, ALBB-003058, BCP28998, ZINC2384709, 4452AE, ANW-31039, BBL037675, GEO-00820, SBB006656, STK502578, AKOS005171112, AS04361, RTR-053084, (1Z)-N-hydroxy-2-methoxyethanimidamide, KS-000015U7, 2-chloro-5-trifluoromethylphenylisocyanate, AB0068136, DB-020847, TR-053084, 2-chloro-5-trifluoromethyl-phenyl isocyanate, FT-0618071, ST50825724, 5-Trifluoro methyl-2-chloro phenyl isocyanate, W-6314, 1-chloro-2-isocyanato-4-trifluoromethyl-benzene, A828151, 1-chloranyl-2-isocyanato-4-(trifluoromethyl)benzene, 2-Chloro-5-(trifluoromethyl)phenyl isocyanate, 97%, W-200396, Benzene, 1-chloro-2-isocyanato-4-(trifluoromethyl)-, C8H3ClF3NO, ZINC02384709, CID2733263, C2258, 14967-17-0,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.986g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	221.563g/mol
Monoisotopic Mass	220.986g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	29.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H227-H301+H331-H315-H319-H334-H335
Packing Group	Ⅲ
Precautionary statements	P210-P261-P264-P270-P271-P280-P284-P301+P310+P330-P302+P352+P332+P313+P362+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
Signal Words	danger
UN Code	UN 2810

Certificate of Analysis

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