AG003G4Y

28178-42-9 | 2,6-Diisopropylphenyl isocyanate

AG003G4Y

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CAS Number	28178-42-9
Catalog Number	AG003G4Y(AGN-PC-0JLZK2)
Chemical Name	2,6-Diisopropylphenyl isocyanate
EC Number	248-885-4
IUPAC Name	2-isocyanato-1,3-di(propan-2-yl)benzene
InChI	InChI=1S/C13H17NO/c1-9(2)11-6-5-7-12(10(3)4)13(11)14-8-15/h5-7,9-10H,1-4H3
InChI Key	FEUFNKALUGDEMQ-UHFFFAOYSA-N
MDL Number	MFCD00008882
Molecular Formula	C13H17NO
Molecular Weight	203.2802
SMILES	CC(c1cccc(c1N=C=O)C(C)C)C
Synonyms	2,6-Diisopropylphenyl isocyanate, 28178-42-9, 2,6-DIISOPROPYLPHENYLISOCYANATE, 2-Isocyanato-1,3-diisopropylbenzene, Benzene, 2-isocyanato-1,3-bis(1-methylethyl)-, Isocyanic Acid 2,6-Diisopropylphenyl Ester, EINECS 248-885-4, MFCD00008882, BRN 2645721, 2-isocyanato-1,3-di(propan-2-yl)benzene, CHEMBL109470, Isocyanic acid, 2,6-diisopropylphenyl ester, 1,3-Bis(1-methylethyl)-2-isocyanatobenzene, FEUFNKALUGDEMQ-UHFFFAOYSA-N, 2,6-bis(1-methylethyl)phenyl isocyanate, Benzene, 1,3-bis(1-methylethyl)-2-isocyanato-, W-107065, 2,6-bis(methylethyl)benzenisocyanate, AC1Q1OTM, AC1Q6BKW, ACMC-209h1a, EC 248-885-4, AC1L3NR1, SCHEMBL191769, 2,6-diisopropylphenylisocynate, Jsp005425, DTXSID9051959, 2,6 diisopropylphenyl isocyanate, 2,6-diisopropyl phenylisocyanate, 2,6-diisopropyl-phenylisocyanate, 2,6-Diisopropylphenyl-isocyanate, 2.6-diisopropylphenyl isocyanate, CTK3J0116, 2,6-diisopropyl phenyl isocyanate, 2,6-diisopropyl-phenyl isocyanate, ZINC152298, KS-000013JJ, STR04916, ZX-AT016087, ANW-26348, BDBM50409551, SBB063986, 2-Isocyanato-1,3-diisopropyl-benzene, AKOS015889872, 2-Isocyanato-1,3-diisopropylbenzene #, RP04431, TRA0060058, VZ22958, 2,6-bis(1-methylethyl)phenylisocyanate, 2,6-Diisopropylphenyl isocyanate, 98%, ACM28178429, 2,6-?Diisopropylphenyl isocyanate, 97%, CC-08125, LS-29155, P370, ZB005150, 2,6-bis (1-methylethyl)phenyl isocyanate, 2-isocyanato-1,3-bis(propan-2-yl)benzene, DB-020217, RT-002469, D3658, FT-0638767, ST50825515, Benzene,2-isocyanato-1,3-bis(1-methylethyl)-, K-7052, A819364, C-09893, I01-3556, 2,6-Diisopropylphenyl isocyanate, technical grade, 90%, C13H17NO, C13-H17-N-O, CID92259, AR-1E2889, 39897-28-4,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.131g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	203.285g/mol
Monoisotopic Mass	203.131g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	29.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H311-H331-H341
Packing Group	Ⅲ
Precautionary statements	P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
Signal Words	danger
UN Code	UN 2206

Certificate of Analysis

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