p-Anisidine Structure

p-Anisidine

Chemical Properties

Melting point 56-59 °C(lit.)
Boiling point 240-243 °C(lit.)
bulk density 700kg/m3
Density  1.06
vapor density  4.28
vapor pressure  0.02 hPa (20 °C)
refractive index  1.5559
Flash point 122 °C
storage temp.  Store below +30°C.
solubility  21g/l
pka 5.34(at 25℃)
form  crystalline
color  dark gray to brown
Specific Gravity 1.07
PH 7.7 (1g/l, H2O, 20℃)
Water Solubility  21 g/L (20 ºC)
Merck  14,667
BRN  471556
Henry's Law Constant (x 10-8 atmm3/mol): 6.62 at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999)
Exposure limits ACGIH TLV-TWA:0.5 mg/m3 (0.1 ppm)
OSHA PEL-TWA:0.5 mg/m3
NIOSH REL-TWA:0.5 mg/m3;IDLH:50 mg/m3
Dielectric constant 8.8399999999999999
Stability Hygroscopic, Material Darkens In Storage With No Loss In Purity
InChI 1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
InChIKey BHAAPTBBJKJZER-UHFFFAOYSA-N
SMILES COc1ccc(N)cc1
LogP 0.950
CAS DataBase Reference 104-94-9(CAS DataBase Reference)
EWG's Food Scores 2-3
FDA UNII 575917SNR4
IARC 3 (Vol. 27, Sup 7) 1987
NIST Chemistry Reference Benzenamine, 4-methoxy-(104-94-9)
EPA Substance Registry System p-Anisidine (104-94-9)
UNSPSC Code 12352116
NACRES NA.22

Safety

Symbol(GHS) Skull and Crossbones (GHS06)Health Hazard (GHS08)Environment (GHS09)
Signal wordDanger
Hazard statements H301+H311+H331-H315-H319-H372-H370-H400-H412
Precautionary statements P501-P273-P260-P270-P271-P264-P280-P391-P337+P313-P305+P351+P338-P308+P311-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Hazard Codes  T+,N,Xi
Risk Statements  45-26/27/28-33-50
Safety Statements  53-28-36/37-45-61-28A
OEB C
OEL TWA: 0.5 mg/m3 [skin]
RIDADR  UN 2811 6.1/PG 3
WGK Germany  2
RTECS  BZ5450000
F  8
Autoignition Temperature 959 °F
TSCA  TSCA listed
HazardClass  6.1
PackingGroup  III
HS Code  29222200
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 1 Dermal
Acute Tox. 2 Inhalation
Acute Tox. 2 Oral
Aquatic Acute 1
Aquatic Chronic 3
Carc. 1B
STOT RE 2
Hazardous Substances Data 104-94-9(Hazardous Substances Data)
Toxicity Acute oral LD50 for rats 1,400 mg/kg, mice 810 mg/kg, rabbits 2,900 mg/kg (quoted, RTECS, 1985).
IDLA 50 mg/m3
NFPA 704:
1
3 0

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