Basic information
- CAS
19284-91-4- Standard SMILES
CSc1c(N)cccc1Cl- InChIKey
WYILPFRFCVIKAK-UHFFFAOYSA-N- Molecular formula
- C7H8ClNS
- Average molar mass
- 173.66 g/mol
- Monoisotopic mass
- 173.0065981
Names & identifiers
- Preferred name
- 3-Chloro-2-(methylsulfanyl)aniline
- IUPAC
- 3-chloro-2-methylsulfanylaniline
- English name
- 3-chloro-2-(methylsulfanyl)aniline
- Molecular formula
- C7H8ClNS
- Molecular weight
- 173.66
Names & synonyms
3-chloro-2-(methylsulfanyl)aniline19284-91-4RefChem:499728994-126-13-chloro-2-(methylthio)aniline3-chloro-2-methylsulfanylanilineMFCD11636607benzenamine, 3-chloro-2-(methylthio)-SCHEMBL3781780WYILPFRFCVIKAK-UHFFFAOYSA-N3-chloro-2-(methylthio)benzenamineUAA28491
Show more names
AKOS009467741SY195242CS-0263783EN300-89903G49127F674981Z412037466InChI=1/C7H8ClNS/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,9H2,1H
Database identifiers
- CAS
19284-91-4- PubChem CID
- 640703
- EC Number
- 994-126-1
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Boiling point
- 260.9 · 260.9±25.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- pka
- 2.52 · 2.52±0.10(Predicted)
- Appearance
- Light yellow to yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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