AG003UY6

32175-00-1 | trans-4-Methycyclohexyl isocyanate

AG003UY6

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CAS Number	32175-00-1
Catalog Number	AG003UY6(AGN-PC-0O8W9G)
Chemical Name	trans-4-Methycyclohexyl isocyanate
EC Number	608-715-5
IUPAC Name	1-isocyanato-4-methylcyclohexane
InChI	InChI=1S/C8H13NO/c1-7-2-4-8(5-3-7)9-6-10/h7-8H,2-5H2,1H3
InChI Key	SWSXEZOUBBVKCO-UHFFFAOYSA-N
MDL Number	MFCD06411231
Molecular Formula	C8H13NO
Molecular Weight	139.1949
SMILES	C[C@H]1CC[C@H](N=C=O)CC1
Synonyms	32175-00-1, trans-4-methycyclohexyl isocyanate, 1-isocyanato-4-methylcyclohexane, trans-4-methyl cyclohexyl isocyanate, trans-4-methylcyclohexylisocyanate, trans-4-methylcyclohexyl isocyanate, 1-isocyanato-4-methyl-cyclohexane, 4-Methylcyclohexyl isocyanate, 38258-74-1, trans-1-isocyanato-4-methyl-cyclohexane, Isocyanic acid trans-4-methylcyclohexyl ester, trans-1-Isocyanato-4-methylcyclohexane, (1r,4r)-1-isocyanato-4-methylcyclohexane, Cyclohexane, 1-isocyanato-4-methyl-, trans-, trans 4-Methylcyclohexyl isocyanate, 4-methyl cyclohexyl isocyanate, Cis-4-Methyl Cyclohexyl Isocyanate, (Trans-4-methylcyclohexylisocyanate), PubChem20720, 4-methylcyclohexylisocyanat, 4-MCHI, 4-methylcyclohexylisocyanate, 32175-01-2, KSC568G4N, SCHEMBL1493050, SCHEMBL1992984, Jsp005960, SCHEMBL13243289, CTK4G8346, KS-00000EMJ, SWSXEZOUBBVKCO-UHFFFAOYSA-N, SWSXEZOUBBVKCO-ZKCHVHJHSA-N, Trans-4-methyl cyclohexylisocyanate, ACN-S003913, BCP28367, trans-4-Methyl-cyclohexyl isocyanate, MFCD06411231, ZINC16696709, AKOS006294831, AKOS010079089, ZINC100004288, ZINC238484476, AC-2126, AS04394, CM-1039, RP20550, VZ33946, TRANS-4-METHYLCYCLOHEXLISOCYANATE, AN-14250, AS-10953, CJ-15559, SC-15968, SY003166, (1s,4s)-1-isocyanato-4-methylcyclohexane, AB0008462, AB1003702, DB-048177, TL8006458, Cyclohexane,1-isocyanato-4-methyl-, trans-, FT-0082992, FT-0639009, FT-0651265, A-2191, MFCD06411231 (97+%), 175M001, A824085, I01-4132, I14-0802, J-018668, J-525024, I14-10648, trans-1-Isocyanato-4-methyl-cyclohexane; trans-4-methycyclohexyl isocyanate,, Not Available, C8H13NO, Trans-4-methyl-cyclohexylisocyanate, ACN-028422, CS-O-10641, CID11423635, A5790,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	139.1g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	139.198g/mol
Monoisotopic Mass	139.1g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	29.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H311-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P322-P330-P332+P313-P337+P313-P340-P361-P362-P363-P403-P403+P233-P405-P501
Signal Words	danger
UN Code	UN 2810

Certificate of Analysis

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