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Home> Hot Product Listed A   > AKOS027290234
505-66-8 structure

AKOS027290234

Iupac Name:1,4-diazepane
CAS No.:505-66-8
Molecular Weight:100.16
Molecular Formula:C22H21CLN6OS (isomer)
Names and Identifiers
Synonyms

2-(4-chloro-2,3-difluorophenyl)acetic acid AK262292

Inchi
InChI=1S/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H2
InChkey
FQUYSHZXSKYCSY-UHFFFAOYSA-N
Canonical Smiles
C1CNCCNC1
Properties
Melting Point
38-40 °C(lit.)
Refractive Index
1.4378 (estimate)
Safety and Handling
Risk Statements
21-34
Safety Statements
26-36/37/39-45-27
HazardClass
8
PackingGroup
III
Transport
UN 3259 8/PG 2
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 505-66-8 EC: AKOS027290234 ·ECHA C&L Inventory for CAS: CAS: 505-66-8 EC: AKOS027290234
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Dermal, Category 3

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H311 Toxic in contact with skin

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P321 Specific treatment (see ... on this label).

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:100.16g/mol
  • Molecular Formula:C22H21CLN6OS
  • Compound Is Canonicalized:True
  • Exact Mass:100.1
  • Monoisotopic Mass:100.1
  • Complexity:39.3
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:24.1A^2
  • Heavy Atom Count:7
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBjAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABYAAAAAAAAAAHAAQAAAACADBAAQAAALAAAAA AAAAAAAAAAAAAAAAAIAIAAAAQAAAQAAUAAAAEACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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