AG008JKR

824-54-4 | Benzaldehyde, 2-​bromo-​4-​methyl-

AG008JKR

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CAS Number	824-54-4
Catalog Number	AG008JKR(AGN-PC-0LEQQ5)
Chemical Name	Benzaldehyde, 2-​bromo-​4-​methyl-
IUPAC Name	2-bromo-4-methylbenzaldehyde
InChI	InChI=1S/C8H7BrO/c1-6-2-3-7(5-10)8(9)4-6/h2-5H,1H3
InChI Key	MUZMDYCVUCMIDC-UHFFFAOYSA-N
MDL Number	MFCD04039890
Molecular Formula	C8H7BrO
Molecular Weight	199.0446
SMILES	C(=O)c1c(Br)cc(cc1)C
Synonyms	2-Bromo-4-methylbenzaldehyde, 824-54-4, 2-bromo-p-tolualdehyde, Benzaldehyde, 2-bromo-4-methyl-, MFCD04039890, AC1NENYS, ACMC-209pp2, KSC497Q8B, SCHEMBL136361, TPC-I119, CTK3J7880, DTXSID30405206, MUZMDYCVUCMIDC-UHFFFAOYSA-N, KS-00000MD9, ZINC2526509, ANW-37572, SBB064054, AKOS005259302, AC-1152, AS06927, CS-W004657, EBD1385988, GS-3352, RP25663, RTR-025786, VZ23995, AJ-37614, AK-36471, AN-15178, BC675522, BR-36471, CJ-08884, FS000904, P646, SC-26415, AB0017135, DB-020642, ST2409671, TL8002679, TR-025786, 4CH-014618, AM20060734, FT-0632992, 2-2-Methoxyphenyl-2-methylamino cyclohexanone, 2-Bromo-4-methylbenzaldehyde, technical grade, M-2268, 824B544, I01-7573, J-508311, J-511938, C8H7BrO, 3-bromo-4-methylbenzaldehyde, 2-bromo-4-methyl-benzaldehyde, CID4645292, 2-Bromo-4-methylbenzaldehyde, 98% - 1G 1g, A10036, 36276-24-1,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.968g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.047g/mol
Monoisotopic Mass	197.968g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H317
Packing Group	Ⅲ
Precautionary statements	P280
Signal Words	warning
UN Code	UN 2811

Certificate of Analysis

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