Cyanomethyl benzenesulfonate - CAS 10531-13-2
Catalog: |
BB001603 |
Product Name: |
Cyanomethyl benzenesulfonate |
CAS: |
10531-13-2 |
Synonyms: |
cyanomethyl benzenesulfonate |
IUPAC Name: | cyanomethyl benzenesulfonate |
Description: | Cyanomethyl benzenesulfonate (CAS# 10531-13-2 ) is a useful research chemical. |
Molecular Weight: | 197.21 |
Molecular Formula: | C8H7NO3S |
Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)OCC#N |
InChI: | InChI=1S/C8H7NO3S/c9-6-7-12-13(10,11)8-4-2-1-3-5-8/h1-5H,7H2 |
InChI Key: | SSOVHFPWMPUQOS-UHFFFAOYSA-N |
Boiling Point: | 142-146 ℃ (1 mmHg) |
Purity: | 95 % |
Density: | 1.309 g/cm3 |
Appearance: | Colorless to white solid or liquid |
MDL: | MFCD00007547 |
LogP: | 1.99628 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-109873204-B | Ternary lithium ion battery electrolyte and lithium ion battery containing same | 20190227 |
EP-3315531-A1 | 8-arm polyethylene glycol derivative, manufacturing method and modified bio-related substance thereby | 20150623 |
EP-3315531-B1 | 8-arm polyethylene glycol derivative, manufacturing method and modified bio-related substance thereby | 20150623 |
US-10434182-B2 | Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof | 20150623 |
US-10660969-B2 | Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof | 20150623 |
Complexity: | 289 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.01466426 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.01466426 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 75.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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