531-76-0

• 常用中文名：2-AMINO-3-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)PROPANOIC ACID
• 常用英文名：2-AMINO-3-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)PROPANOIC ACID
• CAS号：531-76-0
• 分子式：C₁₃H₁₈Cl₂N₂O₂
• 分子量：305.20000
• 发布时间：2016-02-11 21:23:08
• 更新时间：2025-08-24 08:12:23

名称

• 英文名: 2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
• 英文别名: Merphalan; Sarcolysinum; D-Sarcolysin; D-Sarcolysine; Sarcolysin; Mephalan; Sarcoclorin; Sarkolysin; Sarcolysine; Medfalan; Merfalan

物化性质

• 密度: 1.32g/cm3
• 沸点: 473.1ºC at 760mmHg
• 熔点: 182-183ºC (decomp)
• 分子式: C₁₃H₁₈Cl₂N₂O₂
• 分子量: 305.20000
• 闪点: 239.9ºC
• 精确质量: 304.07500
• PSA: 66.56000
• LogP: 2.62530
• 储存条件: 库房通风低温干燥,与食品原料分开存放

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : AY3600000 CHEMICAL NAME : Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-, DL- CAS REGISTRY NUMBER : 531-76-0 LAST UPDATED : 199604 DATA ITEMS CITED : 19 MOLECULAR FORMULA : C13-H18-Cl2-N2-O2 MOLECULAR WEIGHT : 305.23 WISWESSER LINE NOTATION : QVYZ1R DN2G2G -DL 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 : 105 mg/kg TOXIC EFFECTS : Gastrointestinal - hypermotility, diarrhea Nutritional and Gross Metabolic - weight loss or decreased weight gain Tumorigenic - active as anti-cancer agent TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 18 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 25 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intracerebral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 250 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 26 mg/kg TOXIC EFFECTS : Tumorigenic - active as anti-cancer agent TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 98 mg/kg/26W-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Blood - lymphoma, including Hodgkin's disease TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 8 mg/kg SEX/DURATION : female 6 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 8 mg/kg SEX/DURATION : female 9 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - musculoskeletal system TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 8 mg/kg SEX/DURATION : female 4 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 5 mg/kg SEX/DURATION : female 6 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetal death MUTATION DATA TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Microorganism - not otherwise specified DOSE/DURATION : 10 mmol/L REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 23,5,1974 *** REVIEWS *** IARC Cancer Review:Animal Sufficient 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: 9,167,1975 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: 9,167,1975 IARC Cancer Review:Group 2B IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987

安全

• 海关编码: 2922499990

合成路线

90102-86-6 ~% 531-76-0

文献：Sen, A.K.; Mukhopadhyay, Sankardeb Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 9 p. 939 - 941

90897-97-5 ~% 531-76-0

文献：Sen, A.K.; Mukhopadhyay, Sankardeb Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 9 p. 939 - 941

83772-59-2 ~% 531-76-0

文献：Sen, A.K.; Mukhopadhyay, Sankardeb Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 9 p. 939 - 941

75-21-8 68199-91-7 ~% 531-76-0

文献：McCasland et al. Journal of Organic Chemistry, 1958 , vol. 23, p. 1568

6335-21-3 ~% 531-76-0

文献：Ferrari Farmaco, Edizione Scientifica, 1956 , vol. 11, p. 524,527

13057-62-0 ~% 531-76-0

文献：Bergel; Stock Journal of the Chemical Society, 1954 , p. 2409,2414 Journal of the Chemical Society, 1959 , p. 90,93 Full Text Show Details Ferrari Farmaco, Edizione Scientifica, 1956 , vol. 11, p. 524,527

75-21-8 98844-19-0 ~% 531-76-0

文献：Bergel; Stock Journal of the Chemical Society, 1954 , p. 2409,2414 Journal of the Chemical Society, 1959 , p. 90,93 Full Text Show Details Chough Seoul Univ. J.Chem.Abstr., 1959 , vol. 8, p. 335,355 Seoul Univ. J.Chem.Abstr., 1960 , p. 13129

90102-87-7 ~% 531-76-0

文献：Sen, A.K.; Mukhopadhyay, Sankardeb Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 9 p. 939 - 941

6265-87-8 ~% 531-76-0

文献：Ferrari Farmaco, Edizione Scientifica, 1956 , vol. 11, p. 524,527

上下游产品

上游产品  7
90102-86-6 83772-59-2 75-21-8 68199-91-7
6335-21-3 98844-19-0 6265-87-8
下游产品  2
26367-45-3 5786-56-1

海关

海关编码	2922499990
中文概述	2922499990 其他氨基酸及其酯及它们的盐（含有一种以上含氧基的除外）. 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	P.进境动植物、动植物产品检疫 Q.出境动植物、动植物产品检疫 R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
Summary	HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%