AG003KLC

1208-03-3 | 4-[Bis-(2-chloroethyl)amino]benzaldehyde

AG003KLC

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CAS Number	1208-03-3
Catalog Number	AG003KLC(AGN-PC-0JLA30)
Chemical Name	4-[Bis-(2-chloroethyl)amino]benzaldehyde
IUPAC Name	4-[bis(2-chloroethyl)amino]benzaldehyde
InChI	InChI=1S/C11H13Cl2NO/c12-5-7-14(8-6-13)11-3-1-10(9-15)2-4-11/h1-4,9H,5-8H2
InChI Key	PXUFHXLGUJLBMI-UHFFFAOYSA-N
MDL Number	MFCD00014132
Molecular Formula	C11H13Cl2NO
Molecular Weight	246.1330
NSC Number	19996
SMILES	O=CC1=CC=C(N(CCCl)CCCl)C=C1
Synonyms	4-bis(2-chloroethyl)aminobenzaldehyde, p-bis-(2-chloroethyl)aminobenzaldehyde, 1208-03-3, 4-Bis(2-chloroethyl)aminobenzaldehyde, 4-[Bis(2-chloroethyl)amino]benzaldehyde, 4-(Bis(2-chloroethyl)amino)benzaldehyde, 4-[Bis-(2-chloroethyl)amino]benzaldehyde, BENZALDEHYDE NITROGEN MUSTARD, 4-(N,N-Bis(2-chloroethyl)amino)benzaldehyde, Benzaldehyde, 4-[bis(2-chloroethyl)amino]-, NSC 19996, BRN 0477933, p-Bis(beta-chloroethyl)aminobenzaldehyde, p-NN-Bis(2-chloroethyl)aminobenzaldehyde, AI3-31986, Benzaldehyde, p-(bis(2-chloroethyl)amino)-, Benzaldehyde, 4-(bis(2-chloroethyl)amino)-, PXUFHXLGUJLBMI-UHFFFAOYSA-N, p-Bis(2-chloroethyl)aminobenzaldehyde, FR-0039, p-Bis(.beta.-chloroethyl)aminobenzaldehyde, p-N,N-Bis(2-chloroethyl)aminobenzaldehyde, Benzaldehyde, p-[bis(2-chloroethyl)amino]-, 4-[N,N-Bis(2-chloroethyl)amino]benzaldehyde, WLN: VHR DN2G2G, ACMC-20amqh, AC1L2FDM, AC1Q3UYM, 3-14-00-00072 (Beilstein Handbook Reference), SCHEMBL896520, CHEMBL1873460, CTK8C5898, DTXSID50153010, ALBB-025769, NSC19996, ZINC1570864, ZX-AN024282, BBL025609, MFCD00014132, NSC-19996, STL363065, AKOS015831844, 4-[Bis(-chloroethyl)amino]benzaldehyde, MCULE-9015589560, VZ31268, NCGC00186387-01, NCGC00186387-02, NCGC00186387-03, LS-24923, 4-[bis[2-chloro-ethyl]amino]-benzaldehyde, AB0127087, P-Nn-Bis (2-Chloroethyl)-Aminobenzaldehyde, TR-003435, FT-0633488, R1281, Z2799, 4-Aminobenzaldehyde, N,N-di[2-chloroethyl]-, 4'-[N,N-Bis(2-chloroethyl)amino]benzaldehyde, 4-(N,N-bis(2-chloroethyl)amino)-benzaldehyde, 4-[Bis-(2-chloroethyl)amino]benzaldehyde, 99%, A804595, C-14982, J-004402, vhr dn2g2g, C11H13Cl2NO, C11-H13-Cl2-N-O, CID71018, AR-1L8152, 32741-83-6,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.037g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	246.131g/mol
Monoisotopic Mass	245.037g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8(6.1)
Hazard statements	H301-H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 2923

Certificate of Analysis

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