Benzothioic S-Acid 硫代苯甲酸

CAS 98-91-9 MFCD00004852

化学结构图

98-91-9
SMILES: O=C(S)c1ccccc1

化学属性

Mol. FormulaC7H6OS
Mol. Weight138.19
Refractive index1.6020 to 1.6050
Boiling Point122 °C at 30 mmHg
Density1.174
Melting Point15-18 °C
Flash Point94°C(lit.)
TSCAYes
Solubility不溶

别名和识别编码

Chemical NameBenzothioic S-Acid
MDL NumberMFCD00004852
CAS Number98-91-9
Synonym Benzothioic S-acid {LY} Benzothioic S-acid {} {LY} Benzothioic S-acid {} {} {LY} Benzothioic S-acid {} {} {} {LY} Benzothioic S-acid {} {} {} {} {LY} Benzothioic S-acid {} {} {} {} {} {LY} Benzothioic S-acid {} {} {} {} {} {} {LY} Benzothioic S-acid {} {} {} {} {} {} {} {LY} Benzothioic S-acid {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} Benzothioic S-acid {} {} {} {} {} {} {} {} {} {LY} Benzothioic S-acid {} {} {} {} {} {} {} {} {} {} {LY} Benzothioic S-acid {} {} {} {} {} {} {} {} {} {} {} {LY} Benzothioic S-acid {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzothioic S-acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzothioic S-acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzothioic S-acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzothioic S-acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID7414
EC Number202-712-9
Beilstein Registry Number2039640
Chemical Name Translation硫代苯甲酸
Reaxys-RN1071790
Wiswesser Line NotationSHVR
LabNetwork Molecule IDLN01277552
InChIInChI=1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
Canonical SMILESC1=CC=C(C=C1)C(=O)S
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; thioacid; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thiocarbonyl Compounds

相关文献及参考

  • Short: EINECS
  • Short: III/35E
  • S-Arylation can be achieved by reaction of the copper(I) derivative with aryl iodides: Synthesis, 68 (1983).
  • Short: III/38B

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSDH6839000
Precautionary statements
  • 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。
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
Signal word
Packing GroupIII
UN Number UN3265 UN 2810 6.1/PG 3
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Safety Statements
  • 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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Storage condition 2-8°C, sealed storage, away from moisture {LY} 2-8°C, sealed storage, away from moisture Air Sensitive {} {LY} 2-8°C, sealed storage, away from moisture {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {
Hazard Codes Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 350 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BCFAAI Bollettino Chimico Farmaceutico.  (Societa Editoriale Farmaceutica,
   Via Ausonio 12, 20123 Milan, Italy)  V.33-    1894- Volume(issue)/page/year:
   112,53,1973

其他信息

  • 下游产品:硫普罗宁
  • 硫代苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0195 硫代苯甲酸 Thiobenzoic Acid 25G 144元 2014/06/02 T0195 硫代苯甲酸 Thiobenzoic Acid 500G 561元 2010/06/21 138680250 硫代苯甲酸 Thiobenzoic acid 90% 25 GR 144元
  • 敏感性:Air Sensitive
  • F:9-13-23
  • 海关编码:29309070
  • 图谱信息:硫代苯甲酸(98-91-9)质谱(MS) 硫代苯甲酸(98-91-9)红外图谱(IR1) 硫代苯甲酸(98-91-9)核磁图( 13 CNMR)
  • Sigma Aldrich:98-91-9(sigmaaldrich)
  • Acros Organics:硫代苯甲酸 Thiobenzoic acid, 90%(98-91-9)
  • TCI Shanghai:硫代苯甲酸 Thiobenzoic Acid,>;90.0%(T)(98-91-9)
  • Alfa Aesar:硫代苯甲酸,94% Thiobenzoic acid, 94%(98-91-9)
  • MSDS 信息:Thiobenzoic acid(98-91-9).msds
  • MOL 文件:98-91-9.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Thiocarbonyl Compounds - Sulfur Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Thiocarbonyl Compounds - Sulfur Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Organic Sulfates/Sulfites - Sulfur Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Sulfoxides

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