AG003JR1

3350-78-5 | 3-Methylcrotonoyl chloride

AG003JR1

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CAS Number	3350-78-5
Catalog Number	AG003JR1(AGN-PC-0JLD7D)
Chemical Name	3-Methylcrotonoyl chloride
EC Number	222-109-4
IUPAC Name	3-methylbut-2-enoyl chloride
InChI	InChI=1S/C5H7ClO/c1-4(2)3-5(6)7/h3H,1-2H3
InChI Key	BDUBTLFQHNYXPC-UHFFFAOYSA-N
MDL Number	MFCD16652511
Molecular Formula	C5H7ClO
Molecular Weight	118.5615
SMILES	CC(=CC(=O)Cl)C
Synonyms	3,3-Dimethylacryloyl chloride, 3350-78-5, 3-methylbut-2-enoyl chloride, 3-Methylcrotonoyl chloride, 3-methyl-but-2-enoyl chloride, 3,3-Dimethylacrylyl chloride, 3-Methyl-2-butenoyl chloride, 2-Butenoyl chloride, 3-methyl-, 3,3-dimethylacryloylchloride, BDUBTLFQHNYXPC-UHFFFAOYSA-N, 3,3-Dimethylacryloyl chloride, 97%, 3,3-Dimethylaclyloyl chloride, Senecioyl chloride, EINECS 222-109-4, dimethylacrylyl chloride, AC1L2SPP, AC1Q1NUL, dimethyl acryloyl chloride, ACMC-1CPB0, beta-methylcrotonyl chloride, AC1Q3G3I, 3-methylbut-2-enoylchloride, 3-Methyl-but-2-enoylchloride, 3-Methylbut-2-en-oylchloride, SCHEMBL250153, 2-Butenoyl chloride,3-methyl-, 3,3 dimethyl acryloyl chloride, 3,3-dimethyl acryloyl chloride, 3,3-dimethyl-acryloyl chloride, Jsp006137, 3,3,-dimethyl acryloyl chloride, 3-Methyl-2-butenoyl chloride #, CTK4H0709, DTXSID80187146, 3-Methyl-2-butenoic acid chloride, 3-methyl-but-2-en-1-oyl chloride, EBD44408, ZINC2140825, BBL027309, MFCD00000730, STL373494, AKOS015902972, beta,beta-dimethylacrylic acid chloride, MCULE-7644585609, RP19322, AJ-33525, CJ-32869, SC-17934, DB-048426, TX-016600, FT-0634794, ST24042343, A822262, I14-1891, J-512896, InChI=1/C5H7ClO/c1-4(2)3-5(6)7/h3H,1-2H, 3-Methylbut-2-enoyl chloride contains 400 ppm phenothiazine as inhibitor, 3,3-Dimethylacryloyl chloride, 97%, contains 400 ppm phenothiazine as inhibitor, dimethylacryloyl chloride, C5-H7-Cl-O, Crotonoyl chloride, 3-methyl-, AR-1F4445, CID102394, 3,3-Dimethylacryloyl chloride, 97% - 25G 25g, 34523-28-9,

Complexity	101
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	118.019g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	118.56g/mol
Monoisotopic Mass	118.019g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8(3)
Hazard statements	H226-H314-H335
Packing Group	Ⅱ
Precautionary statements	P261-P280-P305+P351+P338-P310
UN Code	UN 2920

Certificate of Analysis

Lot Number