147-47-7

• 常用中文名：2,2,4-三甲基-1,2-二氢喹啉
• 常用英文名：2,2,4-Trimethyl-1,2-dihydroquinoline
• CAS号：147-47-7
• 分子式：C₁₂H₁₅N
• 分子量：173.254
• 发布时间：2019-02-16 18:54:38
• 更新时间：2024-01-02 13:58:00

名称

• 中文名: 2,2,4-三甲基-1,2-二氢喹啉
• 英文名: 1,2-Dihydro-2,2,4-trimethylquinoline
• 中文别名: 1,2-二氢化-2,2,4-三甲基喹啉; 防老剂RD单体
• 英文别名: Quinoline, 1,2-dihydro-2,2,4-trimethyl-; EINECS 205-688-8; 2,2,4-trimethyl-1H-quinoline; TRIMETHYL-1,2-DIHYDROQUINOLINE; 2,2,4-trimethyl-quinoline; 2,2,4-Trimethyl-1,2-dihydroquinoline; Quinoline,1,2-dihydro; 2,2,4-trimethyl-[2H]-dihydroquinoline; 2,2,4-Arimethyl-1H-quinoline; 1,2-hydro-2,2,4-trimethylquinoline; 2,2,4-Trimethyl-1,2-dihydroquinone; RALOX TMQ Monomer; Acetone anil; Trimethyl dihydroquinoline; 2,2,4-TRIMETHYL-1,2,3,4-TETRAHYDRO-QUINOLIN-6-OL

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 269.7±20.0 °C at 760 mmHg
• 熔点: 72 - 94ºC
• 分子式: C₁₂H₁₅N
• 分子量: 173.254
• 闪点: 118.6±17.2 °C
• 精确质量: 173.120453
• PSA: 12.03000
• LogP: 3.52
• 外观性状: 棕色粉末或片
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.521
• 储存条件: 2-8°C
• 分子结构:

  1、 摩尔折射率：55.40

  2、 摩尔体积（cm³/mol）：181.9

  3、 等张比容（90.2K）：421.1

  4、 表面张力（dyne/cm）：28.6

  5、 极化率（10-24cm3）：21.96

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.8

  2.氢键供体数量:1

  3.氢键受体数量:1

  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12

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:227

  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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : VB4900000 CHEMICAL NAME : Quinoline, 1,2-dihydro-2,2,4-trimethyl- CAS REGISTRY NUMBER : 147-47-7 LAST UPDATED : 199710 DATA ITEMS CITED : 14 MOLECULAR FORMULA : C12-H15-N MOLECULAR WEIGHT : 173.28 WISWESSER LINE NOTATION : T66 BM CHJ C1 C1 E1 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 : 2 gm/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) REFERENCE : HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 31(1-3),183,1966 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1450 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) REFERENCE : HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 31(1-3),183,1966 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 2 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IPSTB3 International Polymer Science and Technology. (Rapra Technology Ltd., Shawbury, Shrewsbury, Shropshire SY4 4NR, UK) Volume(issue)/page/year: 3,93,1976 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 12 gm/kg/30D-I TOXIC EFFECTS : Liver - liver function tests impaired Related to Chronic Data - death REFERENCE : GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 31(2),25,1966 TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 12500 ug/m3/4H/21W-I TOXIC EFFECTS : Kidney, Ureter, Bladder - other changes in urine composition Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Nutritional and Gross Metabolic - weight loss or decreased weight gain 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: 9(8),32,1965 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 18200 mg/kg/13W-I TOXIC EFFECTS : Liver - changes in liver weight Endocrine - changes in thymus weight Nutritional and Gross Metabolic - weight loss or decreased weight gain REFERENCE : NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-456,1997 ** TUMORIGENIC DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 26 gm/kg/2Y-I TOXIC EFFECTS : Tumorigenic - neoplastic by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors REFERENCE : NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-456,1997 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M2990 No. of Facilities: 237 (estimated) No. of Industries: 9 No. of Occupations: 9 No. of Employees: 2135 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M2990 No. of Facilities: 190 (estimated) No. of Industries: 2 No. of Occupations: 8 No. of Employees: 8109 (estimated) No. of Female Employees: 1529 (estimated)

安全

• 危害码 (欧洲): Xi
• 安全声明 (欧洲): S26-S36
• WGK德国: 3
• 海关编码: 29322980

合成路线

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海关

海关编码	2933499090
中文概述	2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%