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Basic Information
CAS No.: 5369-19-7
Name: 3-(TERT-BUTYL)ANILINE
Article Data: 19
Molecular Structure:
Molecular Structure of 5369-19-7 (3-(TERT-BUTYL)ANILINE)
Formula: C10H15N
Molecular Weight: 149.236
Synonyms: Aniline,m-tert-butyl- (6CI,7CI,8CI);3-tert-Butylaniline;3-tert-Butylphenylamine;m-tert-Butylaniline;
EINECS: 226-361-6
Density: 0.942g/cm3
Boiling Point: 236.6 °C at 760 mmHg
Flash Point: 100.5 °C
Hazard Symbols: IrritantXi
Risk Codes: 20/21/22-36/37/38
Safety: 26-36/37/39
PSA: 26.02000
LogP: 3.14750
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    Address:5Fl. 501Room, Tower A, New Youth Plaza, 8 Jia Shan Road, Hangzhou, China

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  • 3-(TERT-BUTYL)ANILINE

  • Casno:

    5369-19-7

    3-(TERT-BUTYL)ANILINE

    Min.Order: 0

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    Taixing Joxin Bio-tec Co.,Ltd. Located in the Yangtze River Delta, Yangtze River, beautiful and rich in central Jiangsu. The company is a high-tech development, production, managem

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  • 3-Tert-Butylaniline

  • Casno:

    5369-19-7

    3-Tert-Butylaniline

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Stock products, own laboratory Package:Grams, Kilograms Application:For R&D Transportation:According to customer request Port:Shanghai

    We are a team of industry experts, dedicated to delivering the best chemical solutions from quality suppliers across China. Putting our customers first, we take a holistic approach

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  • 3-Tert-Butylaniline manufacturer

  • Casno:

    5369-19-7

    3-Tert-Butylaniline manufacturer

    Min.Order: 0

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    Known for its best quality and competitve price, this chemicals we offered is widely appreciated by our customers.Appearance:White powder Storage:keep sealed and keep from direct light Package:According client's requirements Application:pharmaceutica

    Shanghai Yuanye Bio-Technology Co., Ltd. is a comprehensive enterprise of life science, specializing in the research, development and sales of biochemical reagents, analytical stan

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    Address:Building 6, No. 465, Changta Road,Songjiang District,Shanghai,China

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  • 3-tert-Butylaniline, 97%

  • Casno:

    5369-19-7

    3-tert-Butylaniline, 97%

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    in stock Application:5369-19-7

    BeanTown Chemical, with a product range of over 7000 products with about 6000 in stock and ready to ship, is a manufacturer and supplier of research chemicals, metals and materials

  •  Beantown Chemical

    United States  |  Contact Details

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    Tel:844-891-6306

    Address:9-11 Sagamore Park Road Hudson NH 03051

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  • 3-tert-Butylaniline

  • Casno:

    5369-19-7

    3-tert-Butylaniline

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Best Seller, High Quality, Competitive Price, Fast Delivery, Quick ResponseAppearance:powder, or liquid Storage:Stored in room temperature, ventilated place Package:Bottle, barrel, cargo, container, etc. Application:Pharmaceuticals, intermediates, AP

  •  LEAP CHEM Co., Ltd.

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    Tel:0571-87317139

    Address:hangzhou

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Specification

The Benzenamine,3-(1,1-dimethylethyl)-, with CAS registry number 5369-19-7, has the systematic name of 3-tert-butylaniline. This chemical belongs to the following product categories: (1)Drug Intermediates; (2)Amines; (3)Phenyls & Phenyl-Het. And the chemical formula of this chemical is C10H15N.

Physical properties of Benzenamine,3-(1,1-dimethylethyl)-: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 50.37; (6)ACD/BCF (pH 7.4): 58.05; (7)ACD/KOC (pH 5.5): 552.45; (8)ACD/KOC (pH 7.4): 636.69; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 48.87 cm3; (15)Molar Volume: 158.4 cm3; (16)Polarizability: 19.37×10-24cm3; (17)Surface Tension: 33.5 dyne/cm; (18)Enthalpy of Vaporization: 47.34 kJ/mol; (19)Vapour Pressure: 0.0471 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-bromo-4-tert-butyl-2-nitro-benzene. This reaction will need reagent H2. The yield is about 95%.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,3-(1,1-dimethylethyl)- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(ccc1)C(C)(C)C
(2)InChI: InChI=1/C10H15N/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,11H2,1-3H3
(3)InChIKey: DPKTVUKEPNBABS-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H15N/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,11H2,1-3H3
(5)Std. InChIKey: DPKTVUKEPNBABS-UHFFFAOYSA-N