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| CAS No.: | 75-25-2 |
|---|---|
| Name: | Bromoform |
| Molecular Structure: | |
|
|
|
| Formula: | CHBr3 |
| Molecular Weight: | 252.731 |
| Synonyms: | Methenyl tribromide;NSC 8019;Tribromomethane;Tribromomethane;Methyl tribromide;Tribrommethan;NCI-C55130;CCRIS 98; |
| EINECS: | 200-854-6 |
| Density: | 2.997 g/cm3 |
| Melting Point: | 8 °C |
| Boiling Point: | 149.2 °C at 760 mmHg |
| Flash Point: | 44 °C |
| Solubility: | 3.2 g/L at 30 °C in water |
| Appearance: | colourless to yellow liquid |
| Hazard Symbols: |
 T,  N,  F
|
| Risk Codes: | 23-36/38-51/53-22-39/23/24/25-23/24/25-11 |
| Safety: | 28-45-61-28A-36/37-16-7 |
| Transport Information: | UN 2515 6.1/PG 3 |
| PSA: | 0.00000 |
| LogP: | 2.45470 |
1'-naphthacetophenone
A
Bromoform
B
methyl 1-naphthoate
C
trimethyl orthoformate
| Conditions | Yield |
|---|---|
| With methanol; sodium bromide at 30℃; electrolysis (Pt-anode, Cu-Zn (60:40)-cathode, 220 mA/cm2 constant current density); | A n/a B 88% C n/a |
1-(4-methoxyphenyl)ethanone
A
Bromoform
B
methyl 4-methoxybenzoate
C
trimethyl orthoformate
| Conditions | Yield |
|---|---|
| With methanol; sodium bromide at 30℃; electrolysis (Pt-anode, Cu-Zn (60:40)-cathode, 220 mA/cm2 constant current density); | A n/a B 85% C n/a |
adamantane
acetonitrile
A
1-Adamantyl bromide
B
Bromoform
C
1-adamantanecarbonitrile
| Conditions | Yield |
|---|---|
| With carbon tetrabromide; molybdenum hexacarbonyl at 140 - 160℃; for 6h; Reactivity; Mechanism; Reagent/catalyst; | A 15% B n/a C 85% |
| Conditions | Yield |
|---|---|
| With 2+ In water; acetonitrile at 20℃; Mechanism; Rate constant; Product distribution; | A 4% B 84% |
| With Co(II)W12O407-; sodium perchlorate In water; acetonitrile at 20℃; for 2h; Rate constant; Product distribution; pH 7; reaction in MeCN/D2O; reaction between CBr4 and the heteropoly blues Co(II)W12O407- and Co(II)W12O408-, kinetic and product stidy, effect of inert salts,; | A 1 % Spectr. B 77 % Spectr. |
para-methylacetophenone
A
4-methyl-benzoic acid methyl ester
B
Bromoform
C
trimethyl orthoformate
| Conditions | Yield |
|---|---|
| With methanol; sodium bromide at 30℃; electrolysis (Pt-anode, Cu-Zn (60:40)-cathode, 220 mA/cm2 constant current density); | A 83% B n/a C n/a |
acetophenone
A
benzoic acid methyl ester
B
Bromoform
C
trimethyl orthoformate
| Conditions | Yield |
|---|---|
| With methanol; sodium bromide at 30℃; for 4h; Product distribution; Mechanism; electrolysis (Pt-anode, Cu-Zn (60:40) cathode, 220 mA/cm2 constant current); other electrolyte, other electrolyte-to-substrate ratio, other material of electrodes; | A 74% B n/a C 15% |
| With methanol; sodium bromide at 30℃; for 4h; electrolysis (Pt-anode, Cu-Zn (60:40)-cathode, 220 mA/cm2 constant current density); | A 74% B n/a C n/a |
1-hexene
carbon tetrabromide
A
Bromoform
B
1,1,1,3-tetrabromoheptane
C
1,1,3-tribromoheptane
| Conditions | Yield |
|---|---|
| With 2,2'-azobis(isobutyronitrile) at 80℃; for 4h; Product distribution; further reagent, further conditions; | A 3.7% B 70% C 10.1% D 9.1% |
| With 2,2'-azobis(isobutyronitrile) at 80℃; for 4h; | A 3.7% B 70% C 10.1% D 9.1% |
di(tert-butyl)(n-butyl)phosphine
A
Bromoform
B
butyl-di-t-butylchlorophosphonium bromide
| Conditions | Yield |
|---|---|
| With carbon tetrabromide; hydrogen chloride In diethyl ether 1) -120 deg C to -50 deg C 2) 0 deg C, Et2O; | A 70% B 70% |
3-methyl-butan-2-one
A
Bromoform
B
Methyl isobutyrate
C
trimethyl orthoformate
| Conditions | Yield |
|---|---|
| With methanol; sodium bromide at 30℃; electrolysis (Pt-anode, Cu-Zn (60:40)-cathode, 220 mA/cm2 constant current density); | A n/a B 67% C n/a |
4,5-Dimethoxy-2-(2-phenylethyl)acetophenon
A
Bromoform
B
2-Brom-4,5-dimethoxybibenzyl
C
4,5-Dimethoxy-2-(2-phenylethyl)benzoesaeure
| Conditions | Yield |
|---|---|
| With sodium hydroxide; bromine In 1,4-dioxane for 1h; Ambient temperature; | A n/a B 2% C 65% |
| With sodium hydroxide; bromine In 1,4-dioxane for 1h; Ambient temperature; | A n/a B 2% C 65% |
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The Bromoform with CAS registry number of 75-25-2 is also known as Methane, tribromo-. The IUPAC name and product name are the same. It belongs to product categories of Pharmaceutical Intermediates; Organics; Heterocyclic Compounds; Analytical Chemistry; Solvents for HPLC & Spectrophotometry; Solvents for Spectrophotometry; Standard Solution of Volatile Organic Compounds for Water & Soil Analysis; Standard Solutions (VOC); 600 Series Wastewater Methods; A-BAlphabetic; Alpha Sort; B; BI - BZChemical Class; BromoEPA; Halogenated; Method 601; Volatiles/ Semivolatiles. Its EINECS registry number is 200-854-6. In addition, the formula is CHBr3 and the molecular weight is 252.73.
Physical properties about Bromoform are: (1)ACD/LogP: 2.29; (2)ACD/LogD (pH 5.5): 2.29; (3)ACD/LogD (pH 7.4): 2.29; (4)ACD/BCF (pH 5.5): 32.39; (5)ACD/BCF (pH 7.4): 32.39; (6)ACD/KOC (pH 5.5): 419.56; (7)ACD/KOC (pH 7.4): 419.56; (8)Index of Refraction: 1.619; (9)Molar Refractivity: 29.83 cm3; (10)Molar Volume: 84.9 cm3; (11)Surface Tension: 49.8 dyne/cm; (12)Density: 2.974 g/cm3; (13)Flash Point: 44 °C; (14)Enthalpy of Vaporization: 39.66 kJ/mol; (15)Boiling Point: 149.2 °C at 760 mmHg; (16)Vapour Pressure: 5.17 mmHg at 25 °C.
Preparation of Bromoform: it is prepared by reaction of acetone with sodium hypobromite under alkaline conditions. Then product is derived after decomposition, distillation, washing, filtration and drying.
Uses of Bromoform: it is used to produce 1,1-dibromo-2-phenyl-cyclopropane by reaction with vinylbenzene. The reaction occurs with reagent potassium tert-butoxide and solvent pentane at ambient temperature for 10 hours. The yield is about 65%. This cehmical is also can be used as dye intermediate, disinfectant, analgesic, anesthetic, refrigerant, mineral agent, precipitating agent, solvent and liquid component of blast-resistant.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes and skin. It's toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. What's more, it has danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing and gloves. Avoid release to the environment. In case of accident or if you feel unwell seek medical advice immediately. After using it, keep container tightly closed and away from sources of ignition. After contact with skin, wash immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C(Br)(Br)Br
2. InChI: InChI=1S/CHBr3/c2-1(3)4/h1H
3. InChIKey: DIKBFYAXUHHXCS-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| human | LDLo | oral | 143mg/kg (143mg/kg) | "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 141, 1969. | |
| mammal (species unspecified) | LC50 | inhalation | 12100mg/m3 (12100mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(4), Pg. 55, 1974. | |
| mouse | LD50 | intraperitoneal | 1274mg/kg (1274mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 20(12), Pg. 52, 1976. | |
| mouse | LD50 | oral | 1072mg/kg (1072mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA | National Toxicology Program Technical Report Series. Vol. NTP-TR-350, Pg. 1989, |
| mouse | LD50 | subcutaneous | 1820mg/kg (1820mg/kg) | Toxicology and Applied Pharmacology. Vol. 4, Pg. 354, 1962. | |
| rabbit | LDLo | subcutaneous | 410mg/kg (410mg/kg) | Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 28, Pg. 201, 1891. | |
| rat | LCLo | inhalation | 45gm/m3/4H (45000mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 28, 1982. | |
| rat | LD50 | intraperitoneal | 414mg/kg (414mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: ANTIPSYCHOTIC BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Toxicology Letters. Vol. 15, Pg. 251, 1983. |
| rat | LD50 | oral | 933mg/kg (933mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA | National Toxicology Program Technical Report Series. Vol. NTP-TR-350, Pg. 1989, |
