AG003IAG

1535-73-5 | 3-Trifluoromethoxyaniline

AG003IAG

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CAS Number	1535-73-5
Catalog Number	AG003IAG(AGN-PC-0JLB63)
Chemical Name	3-Trifluoromethoxyaniline
EC Number	216-256-3
IUPAC Name	3-(trifluoromethoxy)aniline
InChI	InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4H,11H2
InChI Key	SADHVOSOZBAAGL-UHFFFAOYSA-N
MDL Number	MFCD00041511
Molecular Formula	C7H6F3NO
Molecular Weight	177.1238
SMILES	C1=C(OC(F)(F)F)C=CC=C1N
Synonyms	3-(Trifluoromethoxy)aniline, 1535-73-5, 3-trifluoromethoxyaniline, 3-trifluoromethoxy-phenylamine, 3-trifluoromethoxy aniline, m-Aminophenyl trifluoromethyl ether, m-(trifluoromethoxy)aniline, Benzenamine, 3-(trifluoromethoxy)-, MFCD00041511, alpha,alpha,alpha-Trifluoro-m-anisidine, 3-(trifluoromethoxy)benzenamine, SADHVOSOZBAAGL-UHFFFAOYSA-N, 3-(trifluoromethoxy)phenylamine, EINECS 216-256-3, PubChem4507, 3trifluoromethoxyaniline, m-trifluoromethoxyaniline, AC1L2KFV, 3-trifluoromethoxy-aniline, ACMC-209d9j, AC1Q51QZ, SCHEMBL1523, 3-(Trifluoromethoxy) aniline, 3-(trifluoromethoxy)-aniline, KSC494I1L, AC1Q528D, Jsp002982, meta-trifluoromethoxy-phenylamine, 3-(trifluoromethoxyl)benzenamine, CTK3J4415, TIMTEC-BB SBB006603, DTXSID60165341, [3-(trifluoromethoxy)phenyl]amine, 3-(Trifluoromethoxy)aniline 98%, BUTTPARK 44\03-14, ZINC164780, 3-(Trifluoromethoxy)aniline, 97%, 3-(Trifluoromethoxy)aniline, 98%, ACT11520, JRD-0239, KS-000009QL, ANW-21461, BBL027976, SBB006603, STK802607, AKOS005145725, AC-3707, AS01516, CS-W017377, LF10274, MCULE-3207311533, PS-8569, RP23845, RTR-006359, SDCCGMLS-0066230.P001, TRA0089874, VF10138, AJ-16283, AK-45009, AN-12693, BR-45009, CJ-02221, I249, SC-01323, SY002366, ZB008293, AB0013574, AB1005484, DB-024350, ST2410848, TL8001147, TR-006359, AM20050523, FT-0613898, ST45028477, EN300-28930, MFCD00041511 (98%), M-2672, 535T735, I01-0628, Q-200332, 3-(Dodecylthio)propanoic-2,2-bis[[3- (dodecylthio)-1-oxopropoxy]methyl]-1,3-propanediyl ester, null, zr coxfff, C7H6F3NO, C7-H6-F3-N-O, CID73753, AR-1L8426, ZINC00164780, ACN-056095, A1530, T2255, 3-(Trifluoromethoxy)aniline, 97% - 1G 1g, 15599-22-1,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.04g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	177.126g/mol
Monoisotopic Mass	177.04g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H312-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number