2-Bromo-4,5-difluorotoluene - CAS 875664-38-3
Catalog: |
BB038525 |
Product Name: |
2-Bromo-4,5-difluorotoluene |
CAS: |
875664-38-3 |
Synonyms: |
1-bromo-4,5-difluoro-2-methylbenzene; 1-bromo-4,5-difluoro-2-methylbenzene |
IUPAC Name: | 1-bromo-4,5-difluoro-2-methylbenzene |
Description: | 2-Bromo-4,5-difluorotoluene (CAS# 875664-38-3) is a useful research chemical. |
Molecular Weight: | 207.02 |
Molecular Formula: | C7H5BrF2 |
Canonical SMILES: | CC1=CC(=C(C=C1Br)F)F |
InChI: | InChI=1S/C7H5BrF2/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,1H3 |
InChI Key: | FKEURBCLFHOBDM-UHFFFAOYSA-N |
Boiling Point: | 183.5 °C at 760 mmHg |
Density: | 1.588 g/cm3 |
MDL: | MFCD07777160 |
LogP: | 3.03570 |
GHS Hazard Statement: | H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3718545-A1 | Antitumor agent | 20171129 |
US-2020405697-A1 | Antitumor Agent | 20171129 |
AU-2018216411-A1 | Quinazoline compound | 20170202 |
BR-112019015364-A2 | QUINAZOLINE COMPOUND, ITS USE AND PHARMACEUTICAL COMPOSITION | 20170202 |
CA-3052125-A1 | Quinazoline compound | 20170202 |
Complexity: | 118 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.95427 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.95427 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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