1,2-Dibromobutane - CAS 533-98-2
Catalog: |
BB028195 |
Product Name: |
1,2-Dibromobutane |
CAS: |
533-98-2 |
Synonyms: |
1,2-dibromobutane |
IUPAC Name: | 1,2-dibromobutane |
Description: | 1,2-Dibromobutane (CAS# 533-98-2 ) is a useful research chemical. |
Molecular Weight: | 215.91 |
Molecular Formula: | C4H8Br2 |
Canonical SMILES: | CCC(CBr)Br |
InChI: | InChI=1S/C4H8Br2/c1-2-4(6)3-5/h4H,2-3H2,1H3 |
InChI Key: | CZWSZZHGSNZRMW-UHFFFAOYSA-N |
Boiling Point: | 59-60 ℃ (20 mmHg) |
Melting Point: | -65 ℃ |
Purity: | 95 % |
Density: | 1.789 g/cm3 |
Appearance: | Slightly yellow liquid |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00000157 |
LogP: | 2.55480 |
Vapor Pressure: | 3.1 [mmHg] |
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 |
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Complexity: | 28.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.89723 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.89928 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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