8.22257

Benzoic acid

for synthesis

• 同義詞: Benzoic acid, Phenylformic acid, Benzene carboxylic acid
• 經驗公式（希爾表示法）: C₇H₆O₂
• CAS號碼: 65-85-0
• 分子量：: 122.12
• 分類程式碼代碼: 12352106
• 酶委員會索引編號: 200-618-2
• NACRES: NA.22

屬性

• 蒸汽壓力: 0.001 hPa ( 20 °C)
• 品質等級: 200
• 化驗: ≥99% (acidimetric)
• 形狀: solid
• 自燃溫度: 570 °C
• 效力: 1700 mg/kg LD₅₀, oral (Rat); >5000 mg/kg LD₅₀, skin (Rabbit)
• pH值: 2.5-3.5 (20 °C in H₂O, saturated solution)
• bp: 249 °C/1013 hPa
• mp: 121-123 °C
• 轉變溫度: flash point 121 °C
• 密度: 1.321 g/cm³ at 20 °C
• 體積密度: 500 kg/m³
• 儲存溫度: 2-30°C
• InChI: 1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
• InChI 密鑰: WPYMKLBDIGXBTP-UHFFFAOYSA-N

描述

應用

• Paper Title: A familiar ring to it: biosynthesis of plant benzoic acids - This study explores the biosynthetic pathways leading to benzoic acid in plants, important for understanding plant metabolism and engineering synthetic pathways for production of benzoic acid derivatives (Widhalm & Dudareva, 2015).
• Paper Title: Pd (II)-catalysed meta-C–H functionalizations of benzoic acid derivatives - Describes a method for the meta-C–H functionalization of benzoic acid derivatives, which could be pivotal for synthetic chemistry applications (Li et al., 2016).

分析報告

Assay (acidimetric): ≥ 99.0 %
Melting range (lower value): ≥ 122 °C
Melting range (upper value): ≤ 125 °C
Identity (IR): passes test

安全資訊

• 象形圖: GHS05,GHS08
• 訊號詞: Danger
• 危險聲明: H315 - H318 - H372
• 防範說明: P260 - P264 - P280 - P302 + P352 - P305 + P351 + P338 - P314
• 危險分類: Eye Dam. 1 - Skin Irrit. 2 - STOT RE 1 Inhalation
• 標靶器官: Lungs
• 儲存類別代碼: 6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• 水污染物質分類（WGK）: WGK 1