AG003JTA

3958-57-4 | 1-(Bromomethyl)-3-nitrobenzene

AG003JTA

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CAS Number	3958-57-4
Catalog Number	AG003JTA(AGN-PC-0JLQSB)
Chemical Name	1-(Bromomethyl)-3-nitrobenzene
EC Number	223-557-3
IUPAC Name	1-(bromomethyl)-3-nitrobenzene
InChI	InChI=1S/C7H6BrNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2
InChI Key	LNWXALCHPJANMJ-UHFFFAOYSA-N
MDL Number	MFCD00007271
Molecular Formula	C7H6BrNO2
Molecular Weight	216.0320
NSC Number	66499
SMILES	BrCC1=CC(=CC=C1)N(=O)=O
Synonyms	3-Nitrobenzyl bromide, 3958-57-4, 1-(Bromomethyl)-3-nitrobenzene, m-Nitrobenzyl bromide, Benzene, 1-(bromomethyl)-3-nitro-, alpha-Bromo-3-nitrotoluene, m-(Bromomethyl)nitrobenzene, alpha-Bromo-m-nitrotoluene, m-Nitro-alpha-bromotoluene, 1-Bromomethyl-3-nitrobenzene, MFCD00007271, 3-nitrobenzylbromide, Toluene, alpha-bromo-m-nitro-, CCRIS 7970, 3-nitro benzyl bromide, EINECS 223-557-3, NSC 66499, .alpha.-Bromo-m-nitrotoluene, m-Nitro-.alpha.-bromotoluene, Toluene, .alpha.-bromo-m-nitro-, LNWXALCHPJANMJ-UHFFFAOYSA-N, 3-Nitrobenzyl bromide, 98+%, 3-(bromomethyl)-1-nitrobenzene, m-nitro-|A-bromotoluene, m-nitrobenzylbromide, 3-Nitro-benzylbromid, 3-nitro-benzylbromide, PubChem4659, a-bromo-m-nitrotoluene, 3-nitro-benzyl bromide, meta-nitrobenzyl bromide, 3-bromomethylnitrobenzene, AC1Q1XAY, 3-bromomethyl nitrobenzene, 3-nitrophenylmethyl bromide, ACMC-209j6c, AC1L2TC1, AC1Q27PI, KSC222M9T, 3-Nitrobenzyl bromide, 98%, SCHEMBL189560, 1-Bromomethyl-3-nitro-benzene, AMBZ0159, Jsp006870, DTXSID4063246, CTK1C2699, KS-00000KKC, 1-(bromomethyl)-3-nitro-benzene, 1-(Bromomethyl)-3-nitrobenzene #, ACN-S004433, ACT00904, NSC66499, ZINC1693930, ANW-29122, NSC-66499, SBB059681, AKOS000121934, AKOS025395650, CS-W007452, MCULE-9938513606, RP26949, RTR-032859, TRA0024174, VZ27158, AC-25717, AJ-30231, AK-48219, AS-15868, BC002797, BR-48219, CJ-06566, CJ-28384, SC-04169, AB1003782, DB-016168, LS-188316, ST2415065, TL8002861, TR-032859, AM20040372, BB 0218082, FT-0635075, N0625, ST51039943, EN300-31322, M-5039, 100494-EP2272822A1, 100494-EP2301939A1, 958N574, W-106419, InChI=1/C7H6BrNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H, 2-Nitrobenzyl benzoate, C7H6BrNO2, Nitro-m-benzyle bromure, ?-Bromo-3-nitrotoluene, |A-Bromo-m-nitrotoluene, C7-H6-Br-N-O2, CID77568, AR-1J6802, 3-Nitrobenzyl bromide, 98% - 1G 1g, R181, 130462-63-4, 41381-89-9,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.958g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.034g/mol
Monoisotopic Mass	214.958g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H335
Packing Group	Ⅱ
Precautionary statements	P261-P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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