232475
3,4-二氯苯乙腈
98%
别名:
3,4-二氯氰苄
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关于此项目
线性分子式:
Cl2C6H3CH2CN
化学文摘社编号:
分子量:
186.04
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
221-743-9
Beilstein/REAXYS Number:
638749
MDL number:
产品名称
3,4-二氯苯乙腈, 98%
InChI key
QWZNCAFWRZZJMA-UHFFFAOYSA-N
InChI
1S/C8H5Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2
SMILES string
Clc1ccc(CC#N)cc1Cl
assay
98%
form
solid
bp
170 °C/12 mmHg (lit.)
mp
39-42 °C (lit.)
functional group
chloro
nitrile
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Application
3,4-Dichlorophenylacetonitrile was used in the synthesis of:
- SR 48968, a potent, competitive and selective non-peptide antagonist of the neurokinin A (NK2) receptor
- tachykinin NK3 receptor antagonist SR 142801, (R)-N-[ 1-[3-[ 1-benzoyl-3-(3,4-dichlororphenyl)-3-piperidinyl]propyyl]-4-phenyl-4-piperidinyl-N-methyl acetamide
- MDL 105,212, a non-peptide tachykinin receptor antagonist
signalword
Warning
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Gloves
Pharmacological profile and chemical synthesis of SR 48968, a non-peptide antagonist of the neurokinin A (NK2) receptor.
Emonds-Alt X, et al.
Bioorganic & Medicinal Chemistry Letters, 3(5), 925-930 (1993)
Identification and chemical synthesis of MDL 105,212, a non-peptide tachykinin antagonist with high affinity for NK1and NK2 receptors.
Burkholder TP, et al.
Bioorganic & Medicinal Chemistry Letters, 6(8), 951-956 (1996)
A practical and scalable synthesis of SR 142801, a tachykinin NK3 antagonist.
Chen HG, et al.
Bioorganic & Medicinal Chemistry Letters, 7(5), 555-560 (1997)
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