1.00134

Benzoic acid

standard for elemental analysis

• Synonym(s): Benzoic acid, Phenylformic acid, Benzene carboxylic acid
• Empirical Formula (Hill Notation): C₇H₆O₂
• CAS Number: 65-85-0
• Molecular Weight: 122.12
• MDL number: MFCD00002398
• UNSPSC Code: 12352106
• NACRES: NA.21
• EC Index Number: 200-618-2
• Form: solid

Properties

• vapor pressure: 0.001 hPa ( 20 °C)
• Quality Segment: 100
• form: solid
• autoignition temp.: 570 °C
• potency: 1700 mg/kg LD₅₀, oral (Rat), >5000 mg/kg LD₅₀, skin (Rabbit)
• pH: 2.5-3.5 (20 °C in H₂O, saturated solution)
• bp: 249 °C/1013 hPa
• mp: 121-123 °C
• transition temp: flash point 121 °C
• density: 1.321 g/cm³ at 20 °C
• bulk density: 500 kg/m³
• storage temp.: 2-30°C
• SMILES string: [O-]C(=O)c1ccccc1.[H+]
• InChI: 1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
• InChI key: WPYMKLBDIGXBTP-UHFFFAOYSA-N

Description

Application

• 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 and Dudareva, 2015).


• 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).

Analysis Note

C (Carbon): 68.8
H (Hydrogen):  5.0
O (Oxygen): 26.2
Suitable for determination of C, H, O

Safety Information

• pictograms: GHS05,GHS08
• signalword: Danger
• hcodes: H315 - H318 - H372
• pcodes: P260 - P264 - P280 - P302 + P352 - P305 + P351 + P338 - P314
• Hazard Classifications: Eye Dam. 1 - Skin Irrit. 2 - STOT RE 1 Inhalation
• target_organs: Lungs
• Storage Class: 6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk: WGK 1