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名称

3-氯苯乙腈

别名

(3-氯苯基)乙腈 | 3-氯苄氰 | 间氯苯乙腈 | 间氯氰苄

英文别名

AC-4375 | Z57039594 | FT-0615477 | UNII-P8K3M9GKQ5 | C1091 | n-Undecanoic acid ethyl ester | SCHEMBL37581 | AM20050093 | EINECS 216-213-9 | 1,6-Dimethylhexanedioate | InChI=1/C8H6ClN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2 | AKOS000119501 | A809364 | MFCD0000

英文名称

3-Chlorobenzyl cyanide

货号

C132151-100g

包装规格

100g

浓度

≥99%

运输条件

常规运输

CAS号

1529-41-5

分子式

C8H6ClN

分子量

151.59 g/mol

Beilstein号

9(4)1675

MDL号

MFCD00001908

PubChem编号

73722

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CC#N

IIUPAC Name

2-(3-chlorophenyl)acetonitrile

INCHI

1S/C8H6ClN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2

InChi Key

GTIKLPYCSAMPNG-UHFFFAOYSA-N

Smiles

C1=CC(=CC(=C1)Cl)CC#N

PubChem SID

488184793

熔点

11-13°C

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

151.019 Da

单同位素质量Monoisotopic Mass

151.019 Da

拓扑极表面积Topological Polar Surface Area

23.800 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

147.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

2.500

密度

1.283

折光率

1.544

闪点(℃)

>110 °C

沸点

134-136 °C/10 mmHg

Class

6.1

Reaxy-Rn

2042965

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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