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104-96-1

Name 4-(Methylmercapto)aniline
CAS 104-96-1
EINECS(EC#) 203-256-3
Molecular Formula C7H9NS
MDL Number MFCD00007889
Molecular Weight 139.22
MOL File 104-96-1.mol
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Chemical Properties

Appearance clear orange to brown-red liquid
Melting point  156-158 °C
Boiling point  272-273 °C(lit.)
density  1.119 g/mL at 25 °C(lit.)
refractive index  n20/D 1.639(lit.)
Fp  >230 °F
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
form  Liquid
pka 4.35(at 25℃)
color  Clear orange to brown-red
Sensitive  Stench
BRN  774506
InChI InChI=1S/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
InChIKey YKFROQCFVXOUPW-UHFFFAOYSA-N
SMILES C1(N)=CC=C(SC)C=C1
CAS DataBase Reference 104-96-1(CAS DataBase Reference)
NIST Chemistry Reference 4-Methylmercaptoaniline(104-96-1)
EPA Substance Registry System 104-96-1(EPA Substance)

Safety Data

Hazard Codes  Xi,Xn
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
RIDADR  2810
WGK Germany  3
RTECS  BY6302000
F  2-8-10-13
Hazard Note  Irritant/Stench
TSCA  T
HazardClass  6.1
HazardClass  IRRITANT, STENCH
PackingGroup  III
HS Code  29309090
Toxicity
LD50 orl-qal: 562 mg/kg AECTCV 12,355,83

Hazard Information

Material Safety Data Sheet(MSDS)

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