121-59-5

• 常用中文名：卡巴胂
• 常用英文名：carbarsone
• CAS号：121-59-5
• 分子式：C₇H₉AsN₂O₄
• 分子量：260.07900
• 相关类别： 原料药 抗寄生虫病药 抗阿米巴病及抗滴虫病药
• 发布时间：2018-06-20 09:03:27
• 更新时间：2024-01-11 17:53:05
• Carbarsone is sometimes used in treatment of intestinal amoebiasis.

名称

• 中文名: 卡巴胂
• 英文名: [4-(carbamoylamino)phenyl]arsonic acid
• 中文别名: 碳酰苯胂
• 英文别名: Aminarson; Aminarsone; Carbarsone; MFCD00025427; Amabevan; Amebarsene; Amebarsone; N-Carbaminyl-arsanilsaeure; Aminoarson; 4-Ureido-phenylarsinsaeure; Arsambide; Carbarson; Amibiarson; 4-Arsono-phenylharnstoff; EINECS 204-484-6; N-Aminoformyl-arsanilsaeure

物化性质

• 熔点: 174°
• 分子式: C₇H₉AsN₂O₄
• 分子量: 260.07900
• 精确质量: 259.97800
• PSA: 112.65000
• 外观性状: solid
• 储存条件:

  低温通风干燥。

• 分子结构:

  1、 摩尔折射率：50.12

  2、 摩尔体积（cm³/mol）：145.2

  3、 等张比容（90.2K）：412.0

  4、 表面张力（dyne/cm）：64.6

  5、 极化率（10-24cm3）：19.87

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:4

  3.氢键受体数量:4

  4.可旋转化学键数量:2

  5.互变异构体数量:3

  6.拓扑分子极性表面积113

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:256

  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

• 更多:

  1.性状：白色粉末。

  2.熔点（℃）：174。

  3.溶解性：微溶于水、乙醇，溶于碳酸钠（钾）溶液或氢氧化钠（钾）溶液，不溶于乙醚和氯仿。几乎无臭，味微酸。

毒性和生态

毒理学数据: 大鼠口服LD50为510mg/kg。 CHEMICAL IDENTIFICATION RTECS NUMBER : CF9275000 CHEMICAL NAME : Arsanilic acid, N-carbamoyl- CAS REGISTRY NUMBER : 121-59-5 BEILSTEIN REFERENCE NO. : 2940926 LAST UPDATED : 199703 DATA ITEMS CITED : 31 MOLECULAR FORMULA : C7-H9-As-N2-O4 MOLECULAR WEIGHT : 260.10 WISWESSER LINE NOTATION : ZVMR D-AS-QQO 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 : 510 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year: 11,269,1989 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 80,393,1944 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - cat DOSE/DURATION : 250 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 29,125,1931 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 200 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 29,125,1931 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 200 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 29,125,1931 ** TUMORIGENIC DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 5000 mg/kg TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors REFERENCE : CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 26,619,1966 *** REVIEWS *** TOXICOLOGY REVIEW 85DHAX "Medical and Biologic Effects of Environmental Pollutants Series," Washington, DC, National Academy of Sciences, 1972-77 Volume(issue)/page/year: As,-,1977 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 0.5 mg(As)/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,16,1971 OSHA PEL (Gen Indu):8H TWA 0.5 mg(As)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 0.5 mg(As)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 0.5 mg(As)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 0.5 mg(As)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-ARAB Republic of Egypt:TWA 0.2 mg(As)/m3 JAN 1993 OEL-AUSTRALIA:TWA 0.05 mg(As)/m3;Carcinogen JAN 1993 OEL-BELGIUM:TWA 0.2 mg(As)/m3 JAN 1993 OEL-DENMARK:TWA 0.05 mg(As)/m3 JAN 1993 OEL-FINLAND;Carcinogen JAN 1993 OEL-FRANCE:TWA 0.2 mg(As)/m3 JAN 1993 OEL-HUNGARY:STEL 0.5 mg(As)/m3;Carcinogen JAN 1993 OEL-INDIA:TWA 0.2 mg(As)/m3 JAN 1993 OEL-THE PHILIPPINES:TWA 0.5 mg(As)/m3 JAN 1993 OEL-POLAND:TWA 0.3 mg(As)/m3 JAN 1993 OEL-SWEDEN:TWA 0.03 mg(As)/m3;Carcinogen JAN 1993 OEL-SWITZERLAND:TWA 0.1 mg(As)/m3;Carcinogen JAN 1993 OEL-THAILAND:TWA 0.5 mg(As)/m3 JAN 1993 OEL-TURKEY:TWA 0.5 mg(As)/m3 JAN 1993 OEL-UNITED KINGDOM:TWA 0.2 mg(As)/m3 JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M2793 No. of Facilities: 33 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 297 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M2793 No. of Facilities: 104 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 3858 (estimated)

安全

• 符号: GHS06, GHS09
• 信号词: Danger
• 危害声明: H301 + H331-H410
• 警示性声明: Missing Phrase - N15.00950417-P261-P304 + P340 + P312-P403 + P233
• 危害码 (欧洲): T
• 危险品运输编码: UN 3465 6.1 / PGIII
• 海关编码: 2931900090

合成路线

590-28-3 ~% 121-59-5

文献：DE213155 ;

98-50-0 506-68-3 ~% 121-59-5

文献：Journal of the Chemical Society, , p. 3133

制备

由对硝基苯胺经重氮化、胂化、还原、加成而得。1.重氮化把对硝基苯胺加入盐酸中，搅拌降温至-5℃，加入亚硝酸钠溶液反应1h，得重氮盐溶液。2.胂化将三氧化二砷、碳酸钠加入水中，搅拌加热至100℃，使全部溶解，冷却，在25℃以下加入硫酸铜溶液，然后，将上一步制得的重氮盐溶液加至配制好的含硫酸铜的亚砷酸钠溶液中，反应温度控制在25℃以下，得对硝基苯胂酸溶液。3.还原用硫酸将对硝基苯胂酸溶液的pH值调至2.8-3.2，加铁粉及氯化钠，升温至100℃反应。反应终点为pH达到9以上。然后加入液碱，放置3h以上。过滤，滤液用硫酸调节至4.5，加活性炭，在50-90℃脱色。过滤，滤液用硫酸调pH至2.8-3.2，冷至10℃，过滤，洗涤，得对氨基苯胂酸。4.加成将对氨基苯胂酸加水冷却至10℃，加入异氰酸钠，搅拌2h。在15℃以下加盐酸至pH4-4.5。然后加入活性炭脱色、过滤，滤液加盐酸至pH1-2，冷至10℃以下，过滤，洗涤，干燥，得卡巴胂。

海关

海关编码	2931900090
中文概述	2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 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%
Summary	2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%