99-05-8

Name 3-Aminobenzoic acid
CAS 99-05-8
EINECS(EC#) 202-724-4
Molecular Formula C7H7NO2
MDL Number MFCD00007795
Molecular Weight 137.14
MOL File 99-05-8.mol
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Chemical Properties

Appearance White to off white crystalline powder
Melting point  178-180 °C(lit.)
Boiling point  251.96°C (rough estimate)
density  1,51 g/cm3
refractive index  1.5323 (estimate)
Fp  150 °C
storage temp.  Store at 0°C
solubility  5.9 g/L (15°C)
form  Powder
pka 4.78(at 25℃)
color  White-brownish to beige-brown
Odor Odorless
Water Solubility  5.9 g/L (15 ºC)
Merck  14,421
BRN  471603
Henry's Law Constant 3.7×106 mol/(m3Pa) at 25℃, Ebert et al. (2023)
InChI 1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKey XFDUHJPVQKIXHO-UHFFFAOYSA-N
SMILES Nc1cccc(c1)C(O)=O
LogP 0.650
Uses
Dye intermediate.
CAS DataBase Reference 99-05-8(CAS DataBase Reference)
NIST Chemistry Reference Benzoic acid, 3-amino-(99-05-8)
EPA Substance Registry System 99-05-8(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P280a-P304+P340-P405-P501a-P280-P301+P312+P330-P304+P340+P312-P305+P351+P338-P337+P313-P261-P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes  Xn,Xi
Risk Statements 
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing .
WGK Germany  2
RTECS  DG1225000
TSCA  Yes
REACH Registrations Active
HS Code  29224995
Storage Class 11 - Combustible Solids

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Material Safety Data Sheet(MSDS)

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