2-(P-Toluoyl)Benzoic Acid 2-(4-甲基苯甲酰)苯甲酸

CAS 85-55-2 MFCD00020287

化学结构图

85-55-2
SMILES: CC1=CC=C(C=C1)C(=O)C1C=CC=CC=1C(O)=O

化学属性

Mol. FormulaC15
Mol. Weight240
Melting Point138.0 to 142.0 deg-C
TSCAYes

别名和识别编码

Chemical Name2-(P-Toluoyl)Benzoic Acid
CAS Number85-55-2
Alfabeta NameMETHYLBENZOYLBENZENECARBOXYLICACID 24()--
MDL NumberMFCD00020287
Synonym 2-(4-Toluoyl)Benzoic Acid 2-(P-TOLUOYL)BENZOIC ACID 98% 2-(4-METHYLBENZOYL)BENZOIC ACID 2-(p-Toluoyl)benzoic acid 2-(对甲苯酰)苯甲酸 2-(对甲苯甲酰基)苯甲酸; 2-(4-甲基苯甲酰)苯甲酸 ORTHO-(PARA-TOLUOYL)-BENZOIC ACID 2-(4-Methylbenzoyl)benzoic acid Benzoic acid, o-(p-toluoyl)- o-(p-Toluoyl)benzoic acid 4-Methyl-2-benzoylbenzoic acid 对甲苯酰邻苯甲酸 2-(4-METHYLBENZOYL)BENZENECARBOXYLIC ACID 4'-Methylbenzophenone-2-carboxylic acid 2-(4-methylbenzoyl)-benzoicaci O-(P-TOLUOYL)BENZOIC ACID AKOS BBS-00000783 2-(4-methylbenzoyl)benzoic acid 4'-Methylbenzophenon-2-carbonsäure benzoic acid, 2-(4-methylbenzoyl)- 2-(对甲苯甲酰)苯甲酸 o-(p-toluyl)benzoicacid 2-(P-TOLUOYL)BENZOIC ACID 2-(p-Toluyl)benzoic acid TBB酸 2-(p-Toluoyl)-benzoesäure 2-(4-甲苯酰)苯甲酸 4Y-METHYLBENZOPHENONE-2-CARBOXYLIC ACID 2-(对甲基苯甲酰)苯甲酸 2-(4-甲苯酰)苯甲酸, 98% 2-Carboxy-4'-methylbenzophenone Benzoic acid, o-(p-toluoyl)- 2-p-toluoylbenzoic acid P-TOLUOYL-O-BENZOIC ACID 2-p-toluoyl-benzoic acid 2-(4-Methylbenzoyl)-benzoesäure 2-(P-TOLUYL)BENZOIC ACID 2-(p-methylbenzoyl)benzoic acid 4-METHYLBENZOPHENONE-2'-CARBOXYLIC ACID 2-(对甲苯甲酰基)苯甲酸 2-(4-甲基苯甲酰)苯甲酸 o-(p-toluyl)benzoic acid
EC Number201-614-3
Merck Number9539
Beilstein Registry Number2111078
Chemical Name Translation2-(4-甲基苯甲酰)苯甲酸
Reaxys-RN2111078
PubChem Substance ID87576283
LabNetwork Molecule IDLN00147425
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; ketone; 1fragment
  • {KO} CarboxylicAcids

相关文献及参考

  • Short: IV/8A Title: Enthalpies of Fusion and Transition of Organic Compounds Author: Zhang, Z.-Y.; Frenkel, M.; March, K.N.; Wilhoit, R.C. Editor: Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8A Year: 1995 Keyword: organic compounds; enthaly of fusion; melting point; phase transition ISBN: 3-540-58854-X ISBN: 978-3-540-58854-2 Internet Resource: DOI:10.1007/b55145 RefComment: VIII, 588 pages.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
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。
  • P302+P352+P332+P313+P362+P364
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • 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
  • P337+P313
Signal word Warning
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 dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
  • 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;
  • S37 Wear suitable gloves 戴适当手套;
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
Hazard Codes Xi

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
3
H-bond Donors
1
LogP
3

其他信息

  • 用途一:用作还原染料和荧光涂料的中间体
  • 图谱信息:2-(对甲苯甲酰基)苯甲酸(85-55-2)红外图谱(IR1) 2-(对甲苯甲酰基)苯甲酸(85-55-2)质谱(MS) 2-(对甲苯甲酰基)苯甲酸(85-55-2)红外图谱(IR2) 2-(对甲苯甲酰基)苯甲酸(85-55-2)核磁图( 13 CNMR) 2-(对甲苯甲酰基)苯甲酸(85-55-2)核磁图( 1 HNMR)
  • Sigma Aldrich:85-55-2(sigmaaldrich)
  • 2-(对甲苯甲酰基)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 T0308 2-(对甲苯酰基)苯甲酸 2-(p-Toluoyl)benzoic Acid 500G 1910元 2014/06/02 T0308 2-(对甲苯酰基)苯甲酸 2-(p-Toluoyl)benzoic Acid 25G 234元 2010/05/25 A12795 2-(4-甲苯酰)苯甲酸, 98% 2-(4-Toluoyl)benzoic acid, 98% 2.5kg 5446元
  • TCI Shanghai:2-(对甲苯酰基)苯甲酸 2-(p-Toluoyl)benzoic Acid,>;97.0%(GC)(85-55-2)
  • Hazard Note:Irritant
  • MOL 文件:85-55-2.mol
  • 下游产品:2-甲基蒽醌
  • Alfa Aesar:2-(4-甲苯酰)苯甲酸,98% 2-(4-Toluoyl)benzoic acid, 98%(85-55-2)

系列性分类


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