Products Categories
| CAS No.: | 61499-10-3 |
|---|---|
| Name: | 4-PHENYLBUTYL ISOTHIOCYANATE |
| Article Data: | 3 |
| Molecular Structure: | |
|
|
|
| Formula: | C11H13NS |
| Molecular Weight: | 191.297 |
| Synonyms: | 4-Phenylbutylisothiocyanate;Phenylbutyl isothiocyanate; |
| Density: | 0.98 g/cm3 |
| Boiling Point: | 316.7 °C at 760 mmHg |
| Flash Point: | 151.4 °C |
| Risk Codes: | 20/21/22-34 |
| Safety: | 23-26-36/37/39-45 |
| Transport Information: | 2927 |
| PSA: | 44.45000 |
| LogP: | 3.11210 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- Total:7 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
This chemical is called Benzene, (4-isothiocyanatobutyl)-, and its CAS registry number is 61499-10-3. With the molecular formula of C11H13NS, its molecular weight is 191.29.
Other characteristics of the Benzene, (4-isothiocyanatobutyl)- can be summarised as followings: (1)ACD/LogP: 4.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.1; (4)ACD/LogD (pH 7.4): 4.1; (5)ACD/BCF (pH 5.5): 763.89; (6)ACD/BCF (pH 7.4): 763.89; (7)ACD/KOC (pH 5.5): 4029.73; (8)ACD/KOC (pH 7.4): 4029.73; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 44.45 Å2; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 61.07 cm3; (15)Molar Volume: 194.4 cm3; (16)Polarizability: 24.21×10-24cm3; (17)Surface Tension: 34.9 dyne/cm; (18)Density: 0.98 g/cm3; (19)Flash Point: 151.4 °C; (20)Enthalpy of Vaporization: 53.58 kJ/mol; (21)Boiling Point: 316.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000749 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is harmful to eyes, respiratory system, skin or if swallowed. It causes burns. You should wear suitable protective clothing to avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: S=C=N\CCCCc1ccccc1
2.InChI: InChI=1/C11H13NS/c13-10-12-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2
3.InChIKey: CCBQOLFAKKAMLD-UHFFFAOYAM