3-(Bromomethyl)benzoic Acid - CAS 6515-58-8
Catalog: |
BB032642 |
Product Name: |
3-(Bromomethyl)benzoic Acid |
CAS: |
6515-58-8 |
Synonyms: |
3-(bromomethyl)benzoic acid; 3-(bromomethyl)benzoic acid |
IUPAC Name: | 3-(bromomethyl)benzoic acid |
Description: | 3-(Bromomethyl)benzoic Acid (CAS# 6515-58-8) is a compound useful in organic synthesis and other pharmacological processes. |
Molecular Weight: | 215.04 |
Molecular Formula: | C8H7BrO2 |
Canonical SMILES: | C1=CC(=CC(=C1)CBr)C(=O)O |
InChI: | InChI=1S/C8H7BrO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11) |
InChI Key: | FTPAHNNMUYOHOB-UHFFFAOYSA-N |
Boiling Point: | 338.1 ℃ at 760 mmHg |
Appearance: | Solid |
MDL: | MFCD00045839 |
LogP: | 2.27970 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113004241-A | 11, 20-dicarbonyl economic oridonin 14-O-benzoic acid esterified derivative and preparation method and application thereof | 20210305 |
CN-112646159-A | Preparation method of quaternary ammonium salt modified polyester resin for antibacterial powder coating | 20201221 |
CN-111217834-A | Nitroxide derivatives of ROCK kinase inhibitors | 20200221 |
AU-2020403705-A1 | Nitroxide derivative of rock kinase inhibitor | 20200221 |
EP-3901156-A1 | Nitrooxyderivative of rock kinase inhibitor | 20200221 |
PMID | Publication Date | Title | Journal |
21581321 | 20081113 | 3-{[4-(4-Pyrid-yl)pyrimidin-2-yl]sulfanylmeth-yl}benzoic acid | Acta crystallographica. Section E, Structure reports online |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.96294 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
-
Catalog: BB044015
1,2,2-Trichloro-3,3-dimethylbutane
Detail
-
Catalog: BB053532
3-chloromethyl-5-methylisoxazole
Detail
-
Catalog: BB000658
2,5-Difluoro-4-iodopyridine
Detail
-
Catalog: BB044016
11-chloro-7-fluoro-2-isopropyl-10,11-dihydrodibenzo[b,f]thiepin
Detail
-
Catalog: BB000125
1,2-Dibromo-3,4-dichlorobenzene
Detail
-
Catalog: BB054390
Methyl 2-(bromomethyl)-3-fluorobenzoate
Detail
-
Catalog: BB001879
3,6-Dibromoimidazo[1,2-a]pyridine
Detail
-
Catalog: BB053827
Cyclohexyl chloroformate
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Halides
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS