AG0052P4

82072-22-8 | 3-(Bromomethyl)benzyl alcohol

AG0052P4

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CAS Number	82072-22-8
Catalog Number	AG0052P4(AGN-PC-025NG2)
Chemical Name	3-(Bromomethyl)benzyl alcohol
IUPAC Name	[3-(bromomethyl)phenyl]methanol
InChI	InChI=1S/C8H9BrO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,10H,5-6H2
InChI Key	JQZKOBFRLUVZLO-UHFFFAOYSA-N
MDL Number	MFCD08234488
Molecular Formula	C8H9BrO
Molecular Weight	201.0605
SMILES	BrCC1=CC(CO)=CC=C1
Synonyms	82072-22-8, (3-(BROMOMETHYL)PHENYL)METHANOL, 3-(Bromomethyl)benzyl alcohol, 3-Bromomethylbenzyl alcohol, [3-(bromomethyl)phenyl]methanol, Benzenemethanol, 3-(bromomethyl)-, 3-Bromo methylbenzyl alcohol, 3-hydroxymethylbenzyl bromide, 3-Bromomethylbenzylalcohol, (3-(bromomethyl)phenyl)metanol, SCHEMBL1023596, CTK3E7842, DTXSID80597564, JQZKOBFRLUVZLO-UHFFFAOYSA-N, ACT00930, KS-000025YR, ANW-49149, MFCD08234488, ZINC26893527, AKOS015920316, AM84227, CS-W015576, FCH1386444, GS-3982, AJ-82697, AK-50533, BR-50533, CJ-17518, SC-13178, AB0026850, AX8011157, DB-056568, TC-137894, 4CH-007005, BB 0261477, FT-0600919, ST24028326, W8601, S-3439, C8H9BrO, (3- METHANOL,

Complexity	95.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.984g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	201.063g/mol
Monoisotopic Mass	199.984g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H314-H317-H400
Packing Group	Ⅱ
Precautionary statements	P260-P261-P264-P270-P272-P273-P280-P301+P310+P330+P331-P303+P361+P353+P310-P304+P340+P310-P305+P351+P338+P310-P333+P313-P363-P391-P405-P501
UN Code	UN 3261

Certificate of Analysis

Lot Number