Introduction：Basic information about CAS 618-58-6|3,5-Dibromobenzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3,5-Dibromobenzoic acid |
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| CAS Number | 618-58-6 | Molecular Weight | 279.914 |
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| Density | 2.1±0.1 g/cm3 | Boiling Point | 355.2±32.0 °C at 760 mmHg |
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| Molecular Formula | C7H4Br2O2 | Melting Point | 218-220 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 168.6±25.1 °C |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | 3,5-Dibromobenzoic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 2.1±0.1 g/cm3 |
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| Boiling Point | 355.2±32.0 °C at 760 mmHg |
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| Melting Point | 218-220 °C(lit.) |
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| Molecular Formula | C7H4Br2O2 |
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| Molecular Weight | 279.914 |
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| Flash Point | 168.6±25.1 °C |
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| Exact Mass | 277.857788 |
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| PSA | 37.30000 |
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| LogP | 3.48 |
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| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
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| Index of Refraction | 1.643 |
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| InChIKey | SFTFNJZWZHASAQ-UHFFFAOYSA-N |
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| SMILES | O=C(O)c1cc(Br)cc(Br)c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DG6290010
- CHEMICAL NAME :
- Benzoic acid, 3,5-dibromo-
- CAS REGISTRY NUMBER :
- 618-58-6
- BEILSTEIN REFERENCE NO. :
- 1940691
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C7-H4-Br2-O2
- MOLECULAR WEIGHT :
- 279.93
- WISWESSER LINE NOTATION :
- QVR CE EE
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 562 mg/kg
- TOXIC EFFECTS :
- Behavioral - rigidity (including catalepsy) Behavioral - muscle contraction or spasticity
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,1020,1968
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H315-H319-H335 |
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| Precautionary Statements | P261-P305 + P351 + P338 |
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| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
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| Hazard Codes | Xi:Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S37/39 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| RTECS | DG6290010 |
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| HS Code | 2916399090 |
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Customs
| HS Code | 2916399090 |
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| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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| Synthesis of 5-substituted 1, 3-[bis (2, 2': 6', 2 ?-terpyridin-4'-ylethynyl)] benzene ligands and their coordination-driven self-assembly. Hwang, S-H, et al. Des. Monomers Polym. 9(5) , 413-24, (2006)
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Synonyms
| 3,5-dibromo-benzoic acid |
| MFCD00051758 |
| 3,5-Dibrom-benzoesaeure |
| BENZOIC ACID,3,5-DIBROMO |
| 3,5-dibromobenzoate |
| 3,5-Dibromobenzoic acid |
| QVR CE EE |
| Benzoic acid, 3,5-dibromo- |
