AG002BKW

1985-12-2 | Benzene, 1-bromo-4-isothiocyanato-

AG002BKW

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CAS Number	1985-12-2
Catalog Number	AG002BKW(AGN-PC-0A9E0G)
Chemical Name	Benzene, 1-bromo-4-isothiocyanato-
IUPAC Name	1-bromo-4-isothiocyanatobenzene
InChI	InChI=1S/C7H4BrNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChI Key	XQACWEBGSZBLRG-UHFFFAOYSA-N
MDL Number	MFCD00004808
Molecular Formula	C7H4BrNS
Molecular Weight	214.0824
NSC Number	72012
SMILES	BrC1=CC=C(C=C1)N=C=S
Synonyms	4-bromophenyl-isothiocyanate, 4-bromophenylisothiocyanate, 4-Bromophenyl isothiocyanate, 1985-12-2, Trichofytocid, 1-Bromo-4-isothiocyanatobenzene, p-Bromophenyl isothiocyanate, Benzene, 1-bromo-4-isothiocyanato-, 4-Bromophenylisothiocyanate, Bromobenzene-4-isothiocyanate, ISOTHIOCYANIC ACID, p-BROMOPHENYL ESTER, Isothiocyanic Acid 4-Bromophenyl Ester, 1-bromo-4-isothiocyanato-benzene, XQACWEBGSZBLRG-UHFFFAOYSA-N, MFCD00004808, NSC 72012, BRN 0878549, AI3-16039, ACMC-1BQKU, WLN: SCNR DE, p-Bromophenylisothiocyanate, AC1L27BT, NCIOpen2_003623, 4-bromo phenyl isothiocyanate, Phenylisothiocyanate, 4-bromo, (4-bromo-phenyl)isothiocyanate, AC1Q24S1, SCHEMBL1019382, 1-isothiocyanato-4-bromobenzene, CTK8A8932, 1-bromo-4-isothio-cyanatobenzene, DTXSID30173594, ZINC164892, 1-Bromo-4-isothiocyanatobenzene #, 4-Bromophenyl isothiocyanate, 97%, NSC72012, ZERO/008327, ANW-13622, NSC-72012, SBB014109, STL197856, AKOS000212188, isothiocaynic acid 4-bromophenyl ester, FS-3858, MCULE-9226308525, NE41404, BP-12927, LS-86391, SC-65337, ZB008359, DB-045007, TR-009225, FT-0676242, I0526, I09-2330, J-802132, F1915-0004, InChI=1/C7H4BrNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4, Octanoic acid sodium salt, 4-bromobenzenisothiocyanate, Chlorotitanium triisopropoxide, CID16133, MFCD00058511, 4-Bromophenyl isothiocyanate, 97% - 25G 25g, 4-12-00-01519 (Beilstein Handbook Reference),

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.925g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	214.08g/mol
Monoisotopic Mass	212.925g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H314-H332-H334
Precuationary statements	P260-P261-P264-P270-P271-P280-P285-P301+P312-P301+P330+P331-P303+P361+P353-P304+P340-P304+P341-P305+P351+P338-P310-P312-P321-P330-P342+P311-P363-P405-P501
Siginal words

Certificate of Analysis

Lot Number