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


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