Basic information
- CAS
175136-76-2- Standard SMILES
NCCSCc1c(F)cccc1Cl- InChIKey
KNNHPOGBBNRNDH-UHFFFAOYSA-N- Molecular formula
- C9H11ClFNS
- Average molar mass
- 219.71 g/mol
- Monoisotopic mass
- 219.0284764
Names & identifiers
- Preferred name
- 2-(2-Chloro-6-fluorobenzylthio)ethylamine
- IUPAC
- 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethanamine
- English name
- 2-[(2-Chloro-6-fluorobenzyl)thio]ethylamine
- Molecular formula
- C9H11ClFNS
- Molecular weight
- 219.71
Names & synonyms
2-(2-Chloro-6-fluorobenzylthio)ethylamine175136-76-22-[(2-chloro-6-fluorobenzyl)thio]ethylamineMFCD000526832-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethanamine2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]ethanamine2-[(2-chloro-6-fluorobenzyl)thio]ethanamine2-((2-Chloro-6-fluorobenzyl)thio)ethan-1-amine2-[(2-chloro-6-fluorophenyl)methylthio]ethanamine2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}ethan-1-amine2-([(2-chloro-6-fluorophenyl)methyl]sulfanyl)ethan-1-amine2-Aminoethyl 2-chloro-6-fluorobenzyl sulphide
Show more names
BUTTPARK 29\08-96Aminoethyl (2-chloro-6-fluorobenzyl) sulfide2-(2-Chloro-6-fluorobenzylthio)ethylamine97%Aminoethyl (2-chloro-6-fluorobenzyl) sulphide2-(2-Chloro-6-fluorobenzylthio)ethylamine 97%2-Aminoethyl2-chloro-6-fluorobenzylsulphide97%
SCHEMBL2109104SCHEMBL7557343DTXSID90371438KNNHPOGBBNRNDH-UHFFFAOYSA-NALBB-027076SBB095859STK826090AKOS000430471
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 140 °C · 140 °C
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.85 · 8.85±0.10(Predicted)
- CAS DataBase Reference
- 175136 · 175136-76-2(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H315-H319-H335
- Precautionary statements
- 260 · P260-P271-P280
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 2735 · 2735
- HazardClass
- CORROSIVE
- HS Code
- 2930909899 · 2930909899
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, 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%)；Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；Acute Tox. 4 (100%)
Safety data
- ridadr
- 2735
- hs_code
- 2930909899
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- CORROSIVE
- Hazard statements
- H314-H315-H319-H335
- Precautionary statements
- P260-P271-P280
Chemistry & industry
Suppliers18 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
3 records
Compound notes
Loading…