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Home> Hot Product Listed S   > SQWHABAKTKOIIR-UHFFFAOYSA-N
144-62-7 structure

SQWHABAKTKOIIR-UHFFFAOYSA-N

Iupac Name:oxalic acid
CAS No.:144-62-7
Molecular Weight:90.03
Molecular Formula:C13H11NO5 (isomer)
Names and Identifiers
Synonyms

1-bromo-3-(cyclopentoxy)benzene 1-bromo-3-(cyclopentyloxy)benzene AK482714 AKOS000202094 benzene, 1-bromo-3-(cyclopentyloxy)- MOLPORT-004-356-270 NE14942 SCHEMBL1337657 ZINC19806508

Inchi
InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
InChkey
MUBZPKHOEPUJKR-UHFFFAOYSA-N
Canonical Smiles
C(=O)(C(=O)O)O
Properties
Melting Point
189.5 °C (dec.)(lit.)
Vapour
<0.01 mm Hg ( 20 °C)
Refractive Index
1.4261 (estimate)
Safety and Handling
Risk Statements
21/22-63-34-41
Safety Statements
24/25-23-36/37/39-27-26-39-37-36-36/37
HazardClass
8
Hazard Note
H302 + H312; H318
PackingGroup
III
Transport
UN 3261 8/PG 3
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
B&B Asesores Auditores Ambientales, S.L. 2014
B&B Asesores Auditores Ambientales, S.L. 2014
B-Lands Consulting (811510-2) 2015
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

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.

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/...

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

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

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

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:90.03g/mol
  • Molecular Formula:C13H11NO5
  • Compound Is Canonicalized:True
  • Exact Mass:89.995
  • Monoisotopic Mass:89.995
  • Complexity:71.5
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:74.6A^2
  • Heavy Atom Count:6
  • 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: AAADcQBAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACgAACAAAAAAAgAAACAAAAgAI AACQCAIAAAAAAAAAAABAAAABAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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