AG003FR6

19654-32-1 | 2,4-dichloro-1-(isocyanatomethyl)benzene

AG003FR6

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CAS Number	19654-32-1
Catalog Number	AG003FR6(AGN-PC-0LE60Y)
Chemical Name	2,4-dichloro-1-(isocyanatomethyl)benzene
IUPAC Name	2,4-dichloro-1-(isocyanatomethyl)benzene
InChI	InChI=1S/C8H5Cl2NO/c9-7-2-1-6(4-11-5-12)8(10)3-7/h1-3H,4H2
InChI Key	FUIUATRKBRZCQD-UHFFFAOYSA-N
MDL Number	MFCD00037075
Molecular Formula	C8H5Cl2NO
Molecular Weight	202.0374
SMILES	ClC1=CC=C(C(Cl)=C1)CN=C=O
Synonyms	2,4-Dichlorobenzyl isocyanate, 19654-32-1, 2,4-dichloro-1-(isocyanatomethyl)benzene, 2,4-dichlorobenzylisocyanate, ACMC-20aodk, AC1NE6VA, AC1Q3JHK, SCHEMBL785031, CTK4E1983, DTXSID50404877, FUIUATRKBRZCQD-UHFFFAOYSA-N, ZINC2384734, 2,4-Dichlorobenzyl isocyanate, 98%, AKOS015891303, FCH1320055, ACM19654321, TRA-0176720, 2,4-dichloro-1-isocyanatomethyl-benzene, DB-065911, TC-171263, Benzene,2,4-dichloro-1-(isocyanatomethyl)-, FT-0743870, 654D321, I01-9673, J-012704, CID4612708,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.975g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	202.034g/mol
Monoisotopic Mass	200.975g/mol
Rotatable Bond Count	2
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	H302-H312-H315-H319-H332-H334-H335
Packing Group	Ⅲ
Precautionary statements	P261-P264-P270-P271-P280-P284-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P342+P311-P403+P233-P405-P501
UN Code	UN 2206

Certificate of Analysis

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