Phosphonic acid,P-[(4-bromophenyl)methyl]-, dimethyl ester - CAS 17211-08-4
Catalog: |
BB043444 |
Product Name: |
Phosphonic acid,P-[(4-bromophenyl)methyl]-, dimethyl ester |
CAS: |
17211-08-4 |
Synonyms: |
Dimethyl(4-bromobenzyl)phosphonate; (4-Bromo-benzyl)-phosphonic acid dimethyl ester; Dimethyl [(4-bromophenyl)methyl]phosphonate; Dimethyl 4-bromobenzylphosphonate; 4-Bromobenzylphosphonic acid dimethyl ester |
IUPAC Name: | 1-bromo-4-(dimethoxyphosphorylmethyl)benzene |
Description: | Phosphonic acid,P-[(4-bromophenyl)methyl]-, dimethyl ester (CAS# 17211-08-4 ) is a useful research chemical. |
Molecular Weight: | 279.07 |
Molecular Formula: | C9H12BrO3P |
Canonical SMILES: | COP(=O)(CC1=CC=C(C=C1)Br)OC |
InChI: | InChI=1S/C9H12BrO3P/c1-12-14(11,13-2)7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3 |
InChI Key: | UGQVUWCKOLSYSZ-UHFFFAOYSA-N |
Purity: | Min. 97 % |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.97074 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.97074 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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