Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed M   > MHPQHBUJWFAHNU-UHFFFAOYSA-N
123-31-9 structure

MHPQHBUJWFAHNU-UHFFFAOYSA-N

CAS No.:123-31-9
Molecular Weight:110.11064
Molecular Formula:C14H15FN2O2 (isomer)
Names and Identifiers
Synonyms

[2-oxo-7-(dimethylamino)-2h-1-benzopyran-4-yl]acetic acid ethyl ester AJ-116785 AK-76157 AKOS022182827 ethyl 2-(7-(dimethylamino)-2-oxo-2h-chromen-4-yl)acetate SCHEMBL15984343 ZINC66381836

Inchi
InChI=1/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
InChkey
QIGBRXMKCJKVMJ-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1O)O
Properties
Melting Point
170-174℃
Vapour
1.91E-09mmHg at 25°C
Refractive Index
1.689
Safety and Handling
Risk Statements
R22;R40;R41;R43;R50;R68
Safety Statements
S26;S36/37/39;S61
HazardClass
9
Hazard Note
H302; H317; H318; H341; H351; H410
PackingGroup
III
Transport
UN 2662
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 >
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
CFS Europe SpA 2016
Eastman Chemical B.V. 2016
Envigo Consulting Limited 2011
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Serious eye damage, Category 1

Skin sensitization, Category 1

Germ cell mutagenicity, Category 2

Carcinogenicity, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H318 Causes serious eye damage

H317 May cause an allergic skin reaction

H341 Suspected of causing genetic defects

H351 Suspected of causing cancer

H400 Very toxic to aquatic life

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.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P273 Avoid release to the environment.

Response

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

P330 Rinse mouth.

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

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

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

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

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

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P391 Collect spillage.

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:110.11064g/mol
  • Molecular Formula:C14H15FN2O2
  • XLogP3-AA:0.6
  • Exact Mass:110.036779
  • Monoisotopic Mass:110.036779
  • Complexity:54.9
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.5
  • Heavy Atom Count:8
  • 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
Recommended Suppliers
  • Tel:86-531-85917597
  • Fax:86-531-85917596
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-531-88110457
  • Fax:86-531-88113608
  • Tel:86-571-86960370
  • Fax:86-571-86940780
Recommended Suppliers
  • Tel:86-531-85917597
  • Fax:86-531-85917596
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-531-88110457
  • Fax:86-531-88113608
  • Tel:86-571-86960370
  • Fax:86-571-86940780
 
<