4'-己氧基-[1,1'-联苯基]-4-甲腈
- 中文名称:
- 4'-己氧基-[1,1'-联苯基]-4-甲腈
- 中文别名:
- 4’-己氧基-[1,1’-联苯基]-4-甲腈;
4′-(己氧基)-4-联苯甲腈;
己氧基联苯氰;
2,2',4,4',4''-五甲氧基三苯基甲醇
- 英文名称:
- 4'-(Hexyloxy)-4-biphenylcarbonitrile
- 英文别名:
- 4-(4-hexoxyphenyl)benzonitrile;
4-(4-Hexyloxyphenyl)benzonitrile;
4-(n-hexyloxy)-4'-cyanobiphenyl;
4-Cyano-4'-hexoxybiphenyl;
4'-(Hexyloxy)-4-biphenylcarbonitrile;
4-cyano-4'-n-hexyloxybiphenyl;
EINECS 255-358-2;
4'-hexyloxy-4-cyanobiphenol;
Liquid crystal 549;
2,2',4,4',4''-PENTAMETHOXYTRIPHENYLMETHANOL;
4-Hexyloxycyanodiphenyl;
6OCB;
4-hexyloxy-4'-cyanobiphenyl;
4-cyano-4'-hexyloxybiphenyl;
4'-hexyloxybiphenyl-4-carbonitrile
- CAS No.:
- 41424-11-7
- 分 子 式:
-
C19H21NO
- 分 子 量:
- 279.38
- 精确分子量:
- 279.16200
- PSA:
- 33.02000
- MDL:
- MFCD00134145
- EINECS:
- 255-358-2
- InChI:
- The Key: YUYXUPYNSOFWFV-UHFFFAOYSA-N3
- 危险品标志:
- 风险术语:
- R20/21/22;R36/37/38
- 安全术语:
- S26;S36
- 分子结构式:
-
- SDS:
- 查看
4'-己氧基-[1,1'-联苯基]-4-甲腈 物化性质
- 外观与性状:
- 液体晶体
- 密度:
- 1.05g/cm3
- 熔点:
- 56-58ºC
- 沸点:
- 430.5ºC at 760mmHg
- 闪点:
- 180.2ºC
- 折射率:
- 1.561
4'-己氧基-[1,1'-联苯基]-4-甲腈 安全信息
- 危险类别码:
- R20/21/22;R36/37/38
- 安全说明:
- S26-S36
- 危险标志:
- Xn: Harmful;
4'-己氧基-[1,1'-联苯基]-4-甲腈 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DV1764200
- CHEMICAL NAME :
- (1,1'-Biphenyl)-4-carbonitrile, 4'-(hexyloxy)-
- CAS REGISTRY NUMBER :
- 41424-11-7
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C19-H21-N-O
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >10 gm/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Behavioral - muscle weakness
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and
Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
V.1-36, 1957-1992. For publisher information, see MTPEEI
Volume(issue)/page/year: 34(4),23,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >1500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and
Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
V.1-36, 1957-1992. For publisher information, see MTPEEI
Volume(issue)/page/year: 34(4),23,1990
4'-己氧基-[1,1'-联苯基]-4-甲腈 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率:85.54
2、 摩尔体积(cm3/mol):263.8
3、 等张比容(90.2K):684.0
4、 表面张力(dyne/cm):45.1
5、 极化率:33.91
6、 介电常数:未确定
计算化学数据
1.疏水参数计算参考值(XlogP):5.6
2.氢键供体数量:0
3.氢键受体数量:2
4.可旋转化学键数量:7
5.互变异构体数量:无
6.拓扑分子极性表面积33
7.重原子数量:21
8.表面电荷:0
9.复杂度:316
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
4'-己氧基-[1,1'-联苯基]-4-甲腈 上游产品
4'-己氧基-[1,1'-联苯基]-4-甲腈 下游产品
4'-己氧基-[1,1'-联苯基]-4-甲腈 表征图谱