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Home> Hot Product Listed C   > CHEMBRDG-BB 6981235
111-42-2 structure

CHEMBRDG-BB 6981235

Iupac Name:2-(2-hydroxyethylamino)ethanol
CAS No.:111-42-2
Molecular Weight:105.137
Molecular Formula:C18H20N2O2 (isomer)
Names and Identifiers
Synonyms

(2E)-3-(4-AMINOPHENYL)-2-PHENYLACRYLIC ACID

Inchi
InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2
InChkey
ZBCBWPMODOFKDW-UHFFFAOYSA-N
Canonical Smiles
C(CO)NCCO
Properties
Density
1.221
Melting Point
27-30℃
Vapour
0.001mmHg at 25°C
Refractive Index
1.475-1.479
Flash Point
221.6°C
Safety and Handling
Risk Statements
R22;R38;R41;R48/22
Safety Statements
S26;S36/37/39;S46
Hazard Note
H302; H315; H318; H373; H412
PackingGroup
II
Transport
UN 1760
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 10000_100000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Akzo Nobel Functional Chemicals AB 2017
ARCHROMA IBÉRICA, S.L. 2016
BASF Antwerpen N.V. 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Serious eye damage, Category 1

Specific target organ toxicity \u2013 repeated exposure, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

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

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

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

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

P310 Immediately call a POISON CENTER/doctor/\u2026

P314 Get medical advice/attention if you feel unwell.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:105.137g/mol
  • Molecular Formula:C18H20N2O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:_1.4
  • Exact Mass:105.079
  • Monoisotopic Mass:105.079
  • Complexity:28.9
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:52.5A^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: AAADccBiMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAAAADhgAYAAALAAgAA AAAAAAAAAAAAAAAAAIAIAAACEAAAAAAAAAAAEACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-531-85917597
  • Fax:86-531-85917596
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-571-85232161
  • Fax:86-571-85134895
  • Tel:0086-0311-68050511
  • Fax:0086-0311-68050511
 
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