1-甲基屈
- 中文名称:
- 1-甲基屈
- 中文别名:
- 1-甲基屈
- 英文名称:
- Chrysene, 1-methyl-
- 英文别名:
- 1-Methyl Chrysene;
1-METHYLCHRYSENE;
1-MethylChrysene
- CAS No.:
- 3351-28-8
- 分 子 式:
-
C19H14
- 分 子 量:
- 242.33
- 精确分子量:
- 242.11000
- PSA:
- 0.00000
- EINECS:
- 222-112-0
- BRN:
- 2557418
- InChI:
- The Key: LQKGSLMFGWWLIU-UHFFFAOYSA-N3
- 安全术语:
- Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also 2-METHYLCHRYSENE; 3-METHYLCHRYSENE; 4-METHYLCHRYSENE; 5-METHYLCHRYSENE; 6-METHYLCHRYSENE.
- 分子结构式:
-
- SDS:
- 查看
1-甲基屈 物化性质
- 密度:
- 1.164 g/cm3
- 沸点:
- 449.4ºC at 760 mmHg
- 闪点:
- 217.8ºC
- 折射率:
- 1.748
- 稳定性相关:
1. 存在于烟气中。
2. IARC致癌性评估:引发活性,证据不充分。
- 其它信息:
1. 熔点(ºC):253~254
1-甲基屈 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GC1320000
- CHEMICAL NAME :
- Chrysene, 1-methyl-
- CAS REGISTRY NUMBER :
- 3351-28-8
- BEILSTEIN REFERENCE NO. :
- 2557418
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C19-H14
- MOLECULAR WEIGHT :
- 242.33
- WISWESSER LINE NOTATION :
- L E6 B666J O1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 40 mg/kg/3W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Skin and Appendages - tumors
MUTATION DATA
- TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 10 ug/plate
- REFERENCE :
- CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year:
36,4525,1976
*** REVIEWS ***
IARC Cancer Review:Animal Inadequate Evidence
IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals
to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210)
V.1- 1972- Volume(issue)/page/year: 32,379,1983
IARC Cancer Review:Human No Adequate Data
IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals
to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210)
V.1- 1972- Volume(issue)/page/year: 32,379,1983
IARC Cancer Review:Group 3
IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49
Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year:
7,56,1987
1-甲基屈 海关数据
中国海关编码:2902909090
- 概述:
- 2902909090. 其他芳香烃. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:2.0%. 普通关税:30.0%
- 申报要素:
- 品名, 成分含量
- 摘要/Summary:
- 2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%
1-甲基屈 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率:84.60
2、 摩尔体积(cm3/mol):208.0
3、 等张比容(90.2K):556.4
4、 表面张力(dyne/cm):51.1
5、 极化率(10-24cm3):33.54
计算化学数据
1.疏水参数计算参考值(XlogP):无
2.氢键供体数量:0
3.氢键受体数量:0
4.可旋转化学键数量:0
5.互变异构体数量:无
6.拓扑分子极性表面积0
7.重原子数量:19
8.表面电荷:0
9.复杂度:320
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