Dimethyl 2-bromoterephthalate - CAS 18643-86-2
Catalog: |
BB054655 |
Product Name: |
Dimethyl 2-bromoterephthalate |
CAS: |
18643-86-2 |
Synonyms: |
Dimethyl bromoterephthalate; 1,4-Dimethyl 2-bromobenzene-1,4-dicarboxylate; 1,4-Benzenedicarboxylic acid, 2-bromo-, dimethyl ester; Bromoterephthalic acid dimethyl ester; o-Bromoterephthalic acid dimethyl ester; 2-Bromo-terephthalic acid dimethyl ester; 2-Bromo-1,4-benzenedicarboxylic acid, dimethyl ester |
IUPAC Name: | dimethyl 2-bromobenzene-1,4-dicarboxylate |
Molecular Weight: | 273.08 |
Molecular Formula: | C10H9BrO4 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)C(=O)OC)Br |
InChI: | InChI=1S/C10H9BrO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,1-2H3 |
InChI Key: | VUMPFOPENBVFOF-UHFFFAOYSA-N |
Boiling Point: | 323.7±22.0°C (Predicted) |
Melting Point: | 52°C |
Purity: | ≥95% |
Density: | 1.505±0.06 g/cm3 (Predicted) |
Storage: | Store at RT |
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: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.96842 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.96842 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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