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1194-98-5

Basic Information
CAS No.: 1194-98-5
Name: Benzaldehyde,2,5-dihydroxy-
Molecular Structure:
Molecular Structure of 1194-98-5 (Benzaldehyde,2,5-dihydroxy-)
Formula: C7H6 O3
Molecular Weight: 138.1207
Synonyms: Gentisaldehyde(6CI,7CI,8CI); 2,5-Dihydroxybenzaldehyde; 5-Hydroxysalicylaldehyde;Formylhydroquinone; NSC 72387
EINECS: 214-789-6
Density: 1.409 g/cm3
Melting Point: 98-102 ºC
Boiling Point: 276.1 °C at 760 mmHg
Flash Point: 135.1 °C
Solubility: soluble in water
Appearance: yellow crystalline powder
Hazard Symbols:
Risk Codes: R36/37/38   
Safety: S26;S36/37/39
Transport Information:
PSA: 57.53000
LogP: 0.91030
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Chemistry

Product Name: Benzaldehyde,2,5-dihydroxy- (CAS NO.1194-98-5)

Molecular Formula: C7H6O3
Molecular Weight: 138.12g/mol
Mol File: 1194-98-5.mol
EINECS: 214-789-6
Appearance: yellow to khaki-green crystalline powder
Melting Point: 97-99 °C(lit.)
Water Solubility: soluble
Sensitive: Air Sensitive
Index of Refraction: 1.674 
Molar Refractivity: 36.76 cm3 
Molar Volume: 97.9 cm3 
Surface Tension: 69 dyne/cm 
Density: 1.409 g/cm3 
Flash Point: 135.1 °C 
Enthalpy of Vaporization: 53.53 kJ/mol 
Boiling Point: 276.1 °C at 760 mmHg 
Vapour Pressure: 0.0029 mmHg at 25°C
XLogP3-AA: 1.2
H-Bond Donor: 2
H-Bond Acceptor: 3
Structure Descriptors of Benzaldehyde,2,5-dihydroxy- (CAS NO.1194-98-5):
  IUPAC Name: 2,5-dihydroxybenzaldehyde
  Canonical SMILES: C1=CC(=C(C=C1O)C=O)O
  InChI: InChI=1S/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10H 
  InChIKey: CLFRCXCBWIQVRN-UHFFFAOYSA-N
Product Categories: Aromatic Aldehydes & Derivatives (substituted); Aldehydes; Phenyls & Phenyl-Het; Benzaldehyde; Phenyls & Phenyl-Het

Safety Profile

Safety Information of Benzaldehyde,2,5-dihydroxy- (CAS NO.1194-98-5):
Hazard Codes: XiIrritant
Risk Statements: 36/37/38-43  
R36/37/38:Irritating to eyes, respiratory system and skin. 
R43:May cause sensitization by skin contact.
Safety Statements: 26-36/37/39-37/39-26,37/39-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S37/39:Wear suitable gloves and eye/face protection. 
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant

Specification

 Benzaldehyde,2,5-dihydroxy- , its CAS NO. is 1194-98-5, the synonyms are 2,5-Dihydroxybenzaldehyde ; Gentisaldehyde .