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Arsonamidous chloride,N,N-diphenyl- structure
Arsonamidous chloride,N,N-diphenyl- structure

Arsonamidous chloride,N,N-diphenyl-

Iupac Name:4-hydroxy-3-methoxybenzaldehyde
CAS No.: 121-33-5
Molecular Weight:152.14732
Modify Date.: 2022-05-19 08:41
1. Names and Identifiers
1.1 Name
Arsonamidous chloride,N,N-diphenyl-
1.2 Synonyms

Arsonamidous chloride, N,N-diphenyl- Arsonamidous chloride,N,N-diphenyl Diphenylaminchlorarsin DIPHENYLAMINOCHLORARSINE Diphenylaminochloroarsine N,N-Diphenylarsonamidous chloride N,N-DIPHENYLARSONAMIDOUSCHLORIDE

1.3 CAS No.
121-33-5
1.4 CID
1183
1.5 EINECS(EC#)
300-691-1
1.6 Molecular Formula
C14H12O3 (isomer)
1.7 Inchi
InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
1.8 InChkey
MWOOGOJBHIARFG-UHFFFAOYSA-N
1.9 Canonical Smiles
COC1=C(C=CC(=C1)C=O)O
1.10 Isomers Smiles
COC1=C(C=CC(=C1)C=O)O
2. Properties
3.1 Melting point
81-84℃
3.1 Boiling point
414.2°Cat760mmHg
3.1 Refractive index
1.555
3.1 Flash Point
120.5°C
3.1 Vapour pressure
0.00194mmHg at 25°C
3.1 Precise Quality
152.04700
3.1 PSA
46.53000
3.1 logP
1.21330
3. Safety and Handling
4.1 Symbol
GHS07
4.1 Signal Word
Warning
4.1 Risk Statements
R22
4.1 Safety Statements
S22;S24/25
4.1 Hazard Declaration
H319
4.1 RIDADR
NONH for all modes of transport
4.1 Caution Statement
P305 + P351 + P338
4.1 WGK Germany
1
4.1 RTECS
YW5775000
4.1 Safety

Low toxicity by inhalation. Human systemic effects. A mild eye irritant. When heated to decomposition Diphenylaminochloroarsine (CAS NO.16758-26-2) emits toxic vapors of NOx, As, and Cl.

4.2 Specification

 Diphenylaminochloroarsine , its cas register number is 16758-26-2. It also can be called Arsonamidous chloride, N,N-diphenyl- ; and N,N-Diphenylarsonamidous chloride .

4.3 Toxicity
1.    

eye-rbt 0.5 mg MLD RNS

    AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),194.
2.    

ivn-rbt LD50:6 mg/kg

    AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),194.
3.    

ihl-hmn TCLo:38 mg/m3/2M:EYE,GIT,PUL

    AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),199.
4.    

ihl-rat LC50:3700 mg/m3/90M

    AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),194.
5.    

ihl-mus LC50:22,400 mg/m3/90M

    AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),194.
6.    

ihl-gpg LC50:7900 mg/m3/90M

    AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),194.
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight: 152.14732g/mol
  • Molecular Formula: C14H12O3
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 152.047344113
  • Monoisotopic Mass: 152.047344113
  • Complexity: 135
  • Rotatable Bond Count: 2
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Topological Polar Surface Area: 46.5
  • Heavy Atom Count: 11
  • 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: AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASgmAIyBoAABgCIAihSgAACCAAkIAAIiAEGiMgNJjKGNRqAcSMkwBELuYeKzBDOIAABAAAAQABAAAIAAACAAAAAAAAAAA==
6. Question & Answer
  • Vanillin is an organic compound with the molecular formula C8H8O3. It is a phenolic aldehyde. Free Get Your Custom Keto Diet Plan - Click Here to Read <<< Its functional groups include aldehyde, hydroxyl, and ether. It is the primary component of the extract of the vanilla bean.
  • "Normal" coupling is vicinal coupling across 3 bonds such as H − C − C − H H − C − C − H . For aromatics, ortho -coupling is of this type. But one can also get other couplings such as long range coupling, e.g., meta -coupling across 4 bonds. Long range coupling tends to be smaller than vicinal coup...
8. Realated Product Infomation