Thiophenol (剧毒品,不能销售)苯硫酚

CAS 108-98-5 MFCD00004826

化学结构图

108-98-5
SMILES: Sc1ccccc1

化学属性

Mol. FormulaC6H6S
Mol. Weight110.18
Refractive indexn20/D 1.588(lit.)
Vapor Density3.8 (vs air)
Boiling Point169 °C(lit.)
Vapor Pressure1.4 mmHg ( 20 °C)
Density1.073 g/mL at 25 °C(lit.)
Melting Point-15 °C(lit.)
Flash Point55°(131°F)
TSCAYes
Solubility不溶

别名和识别编码

Chemical NameThiophenol
Synonym RCRA waste number P014 巯基苯 PHENYL MERCAPTAN benzenethiol Rcra waste number P014 thio-pheno Benzenethiol; Phenyl mercaptan THIOPHENOL (CHINESE) 苯硫酚 THIOPHENOL Benzenethiol AKOS BBS-00004420 Phenylthiol 硫酚 Phenylmercaptan 苯硫酚(0311限出口) Phenol, thio- thiophenol 苯(基)硫醇 BENZENETHIOL 硫[苯]酚 USAF XR-19 usafxr-19 硫代苯酚, 99+% Mercaptobenzene 苯硫醇 Benzolthiol Thiophenol benzenethiolnylchloride Phenyl mercaptan 巯基苯 硫酚 苯硫酚 FEMA 3616 mercapto-benzen 苯硫酚(0311禁运) 硫代苯酚 Thiofenol 苯基硫醇 Thiophenol/Benzenethiol BENZENETHIOL 98+% phenol, thio- 馏基苯 巯基苯酚 rcrawastenumberp014 mercaptobenzene MERCAPTOBENZENE Mercaptobenzol thiophenol00
PubChem Substance ID24901811
EC Number203-635-3
Beilstein Registry Number0506523
MDL NumberMFCD00004826
CAS Number108-98-5
Merck Number14,9355
Chemical Name Translation(剧毒品,不能销售)苯硫酚
Wiswesser Line NotationSHR
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分类

  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香
  • {SA} A-B, Alphabetical Listings, Flavors and Fragrances
  • {SNA} All Alphabetically Sorted, Alpha Sort, Analytical Standards, Analytical/Chromatography, Chromatography, Environmental Standards, Flavors and Fragrances, Food & Beverage Standards, S-Z, T-Z, Volatiles/ Semivolatiles
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; thiol; 1fragment
  • {SNA} A-B, A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Kosher Certified Products

相关文献及参考

  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • Short: II/6 Title: Molecular Constants from Microwave, Molecular Beam, and Electron Spin Resonance Spectroscopy Author: Demaison, J.; Hüttner, W.; Starck, B.; Buck, I.; Tischer, R.; Winnewisser, M. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/6 Year: 1974 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-05977-6 ISBN: 978-3-540-05977-6 Internet Resource: DOI:10.1007/b19951 RefComment: 153 figs., XIII, 688 pages
  • Short: III/35D2 Title: Nuclear Mag

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H300+H310+H330
  • H318 Causes serious eye damage 严重伤害眼睛
  • H226 Flammable liquid and vapour 易燃液体和蒸气
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSDC0525000
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P301+P310
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P302+P350
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
Signal word Danger
Packing GroupI
UN Number UN 2337 6.1/PG 1 2337 UN2337
Risk Statements
  • R26 Very toxic by inhalation 吸入极毒
  • R24/25 Toxic in contact with skin and if swallowed 皮肤接触及吞食都有毒
  • R10 Flammable 易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
Storage condition Store at RT. Air Sensitive
Hazard Codes T+ T+,T
Hazard Class6.1
Restrict 剧毒 {} 剧毒化学品
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 300 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Lungs, Thorax, or Respiration - respiratory depression
   Skin and Appendages - primary irritation (after topical exposure)
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   19,171,1958

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 9800 ug/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - coma
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   19,171,1958

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 33 ppm/4H
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - respiratory stimulation
   Behavioral - somnolence (general depressed activity)
   Sense Organs and Special Senses (Eye) - lacrimation
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   19,171,1958

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 46200 ug/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - coma
   Lungs, Thorax, or Respiration - respiratory

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 500 mg/kg
SEX/DURATION            : female 6-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Maternal Effects - other effects
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB94-155009

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 500 mg/kg
SEX/DURATION            : female 6-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured
   before birth)
   Reproductive - Effects on Embryo or Fetus - other effects to embryo
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB94-155009

其他信息

  • 用途二:食品用香料。
  • 爆炸物危险特性:对皮肤,角膜有腐蚀性
  • 用途一:用作医药中间体
  • {Chemical
  • 使用限量:FEMA(mg/kg):焙烤制品5.3;冷饮5.5;肉制品3.1;软糖5.6;凝胶和布丁2.5;无醇饮料1.5;含醇饮料3.7;调味品0.2。 FDA,§172.515:适量为限。
  • 用途三:用作染料、医药、农药、阻聚剂、抗氧剂等精细化学品的中间体,例如用于生产药物甲砜霉素、杀菌剂、克瘟散等。
  • {Chemi
  • 上游原料:苯磺酰氯
  • 敏感性:Stench
  • 苯硫酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80128727 苯硫酚(剧毒) 250ml 101.6元 2010/06/21 138870250 苯硫酚 Thiophenol 99% 25 ML 397元 2010/06/21 138870010 苯硫酚 Thiophenol 99% 1 LT 1241元
  • Hazard Note:Toxic/Stench
  • MOL 文件:108-98-5.mol
  • FEMA:3616
  • 灭火剂
  • 参考质量标准:FAO/WHO,1999 含量(GT-10-4) ≥97% 折射率(n D 20 ) 1.589~1.593 相对密度(d 25 25 ) 1.073~1.080
  • 检测方法:GC
  • 蒸气压:1.4 mm Hg ( 20 °C)
  • F:10-13-23
  • 急性毒性:口服- 大鼠 LD50: 46.2 毫克/ 公斤; 腹注- 小鼠 LD50: 25 毫克/ 公斤
  • 下游产品:苯并噻吩 --> 地虫磷 --> 苯硫咪唑 --> 3-乙酰硫茚 --> 7-[(氨苯基乙酰基)氨基]-3-氯-8-氧代-1-氮杂二环[4.2.0]辛-2-烯-2-羧酸水合物 --> 苯乙硫醚 --> 克瘟散 --> 4-羟基硫代香豆素 --> 腈波斯坦 --> 二苯硫基甲烷 --> 溶剂橙 63 --> 双草醚 --> 液晶杂环高聚物 --> 苯次磺酰氯 --> 1,8-双(苯硫基)-9,10-蒽二酮
  • 刺激数据:眼- 兔子 108 毫克 重度
  • 方法二:将苯磺酸或苯磺酰氯用硫酸和锌进行还原,或采用电解还原,可制得苯硫酚。另外的制法是以氯苯为原料,与硫化氢反应。将
  • 毒性:GRAS(FEMA)。
  • Sigma Aldrich:108-98-5(sigmaaldrich)
  • 概述:苯硫酚又名巯基苯、硫酚,是一种带有恶臭的无色液体。呈弱酸性。相对密度1.0728,熔点 -15℃,沸点168.3℃。不溶于水,可溶于乙醇、苯和乙醚。有催眠作用,在浓度较高时,能麻痹中枢神经。涂抹在皮肤上,会引起皮炎、溃疡。所以不管是直接接触还是吸入其蒸气均有害。 本品在空气中被氧化,特别是当溶于酒精氨溶液中时,形成C6H5SSC6H5。苯硫酚巯基中的氢容易被金属取代;尤其被重金属取代时,其盐呈现特征颜色,并且不溶于水。被不同的氧化剂氧化时,产物不同,能与不饱和烃加成,与烯烃进行自由基加成,与炔烃发生亲核加成。在碱性溶液中能与卤代烃、烷基硫酸、烷基磺酸酯发生反应,生成硫醚。能与醛发生缩醛反应,与酮发生缩酮反应。能与格氏试剂反应,生成苯巯基格氏试剂。也能与酰氯反应,生成苯巯基酯。与羟酸反应,也能生成苯巯基酯。小鼠皮下注射LD502.15mg/kg。 由苯磺酸或苯磺酰氯用硫酸与锌还原而制得,也可用一氯化苯与硫化氢反应而制得。苯硫酚主要用于合成有机磷农药克瘟散(O-乙基-S,S-二苯基二硫代磷酸酯)、杀菌磺胺、敌锈酸,还可用作生产杀虫剂“三硫磷”、 “氰苯硫醚”,“增效滴”、“甲基芬硫磷”以及“三氯苯硫酚”、“二苯基硫”等;医药原料方面,用于生产局部麻醉剂及甲砜霉素等;高分子材料领域,用于合成高分子树脂硫化剂、共聚剂、橡胶再生剂、聚氯乙烯稳定剂、乳液聚合引发剂、粘接剂、感光剂等。 信息编辑:王晓楠。
  • 类别:腐蚀物品

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