METHYL 4-(TRIPHENYLPHOSPHONIO)CROTONATE BROMIDE - CAS 2181-98-8
Catalog: |
BB043613 |
Product Name: |
METHYL 4-(TRIPHENYLPHOSPHONIO)CROTONATE BROMIDE |
CAS: |
2181-98-8 |
Synonyms: |
METHYL 4-(TRIPHENYLPHOSPHONIO)CROTONATE BROMIDE; (3-Methoxycarbonyl-2-propenyl)triphenylphosphonium bromide; (4-methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide; METHYL-4-(TRIPHENYLPHOSPONIO)CROTONATE BROMIDE; Methyl 4-(triphenylphosphonio)crotonate brom |
IUPAC Name: | [(E)-4-methoxy-4-oxobut-2-enyl]-triphenylphosphanium;bromide |
Description: | METHYL 4-(TRIPHENYLPHOSPHONIO)CROTONATE BROMIDE (CAS# 2181-98-8 ) is a useful research chemical. |
Molecular Weight: | 441.30 |
Molecular Formula: | C23H22BrO2P |
Canonical SMILES: | COC(=O)C=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-] |
InChI: | InChI=1S/C23H22O2P.BrH/c1-25-23(24)18-11-19-26(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22;/h2-18H,19H2,1H3;1H/q+1;/p-1/b18-11+; |
InChI Key: | KSTXYAKHACCZSD-NWBUNABESA-M |
Melting Point: | 164-166 °C |
Purity: | 98 % |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 409 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 440.05408 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 440.05408 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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