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| CAS No.: | 106-38-7 |
|---|---|
| Name: | Benzene,1-bromo-4-methyl- |
| Article Data: | 273 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H7Br |
| Molecular Weight: | 171.037 |
| Synonyms: | Toluene,p-bromo- (8CI);1-Bromo-4-methylbenzene;1-Methyl-4-bromobenzene;4-Bromo-1-methylbenzene;4-Methyl-1-bromobenzene;4-Methylbromobenzene;4-Methylphenyl bromide;4-Tolyl bromide;NSC 6531;p-Bromo(methyl)benzene;p-Bromotoluene;p-Methylbromobenzene;p-Methylphenyl bromide;p-Tolyl bromide;4-Bromotoluene; |
| EINECS: | 203-391-8 |
| Density: | 1.39 g/cm3 |
| Melting Point: | 26-29 °C(lit.) |
| Boiling Point: | 183.8 °C at 760 mmHg |
| Flash Point: | 69 °C |
| Solubility: | <0.1 g/100 mL at 24 °C in water |
| Appearance: | colourless or pale yellow liquid |
| Hazard Symbols: |
 Xn, N, T
|
| Risk Codes: | 22-38-51/53-36/37/38 |
| Safety: | 28-61-37/39-26 |
| Transport Information: | UN 3077 9/PG 3 |
| PSA: | 0.00000 |
| LogP: | 2.75750 |
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Consensus Reports
Specification
4-Bromotoluene has the Synonyms of 1-Brom-4-methylbenzol; 1-bromo-4-methyl-benzen; 1-Methyl-4-bromobenzene; 4-Bromo-1-methybezene; 4-bromo-toluen;4-Bromtoluol; 4-Methylbromobenzene; 4-Methylphenyl bromide; p-Bromotoluene; p-Tolyl bromide; Toluene, p-bromo-; Parabromotoluene; p-Methylbromobenzene; 1-Bromo-4-methylbenzene; 4-Tolyl bromide; 4-Methylbromobenzene; 4-BROMOTOLUENE; p-Methylphenyl bromide. With the CAS NO.106-38-7, it has the Molecular Formula of C7H7Br and the Molecular Weight of 171.03448. It is producted by diazotizing and swapping paratoluidine.4-Bromotoluene is used in the field of organic synthesis.
Physical properties about 4-Bromotoluene are: (1)ACD/LogP: 3.45; (2)ACD/LogD (pH 5.5): 3.45; (3)ACD/LogD (pH 7.4): 3.45; (4)ACD/BCF (pH 5.5): 246.64; (5)ACD/BCF (pH 7.4): 246.64; (6)ACD/KOC (pH 5.5): 1794.08; (7)ACD/KOC (pH 7.4): 1794.08; (8)Index of Refraction: 1.548; (9)Molar Refractivity: 38.768 cm3; (10)Molar Volume: 121.893 cm3; (11)Polarizability: 15.369 10-24cm3; (12)Surface Tension: 34.4990005493164 dyne/cm; (13)Density: 1.403 g/cm3; (14)Flash Point: 68.967 °C; (15)Enthalpy of Vaporization: 40.278 kJ/mol; (16)Boiling Point: 183.76 °C at 760 mmHg; (17)Vapour Pressure: 1.03600001335144 mmHg at 25°C
When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Avoid release to the environment. Refer to special instructions safety data sheet;
3. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer);
4. Wear suitable gloves and eye/face protection;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3;
(2)InChIKey=ZBTMRBYMKUEVEU-UHFFFAOYSA-N;
(3)Smilesc1(ccc(cc1)Br)C
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LC50 | inhalation | 1300mg/m3 (1300mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(4), Pg. 55, 1974. | |
| mouse | LD50 | intraperitoneal | 1741mg/kg (1741mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 20(12), Pg. 52, 1976. |