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Home> Hot Product Listed B   > BAS 00457665
123-91-1 structure

BAS 00457665

CAS No.:123-91-1
Molecular Weight:88.10512
Molecular Formula:C11H6N4OS (isomer)
Names and Identifiers
Synonyms

5-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,2,3,5,6-pentahydrobenzo[a]phenanthridi n-4-one 5-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,5,6-tetrahydro-1h-benzo[a]phenanthridin-4-one 5-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1h)-one AB00086876-01 AG-690/12868113 AKOS000605326 AKOS024304371 BG01741543 MOLPORT-001-933-790 OPREA1_386464 OPREA1_733416 ST50230366 STOCK1S-15981

Inchi
InChI=1/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
InChkey
RYHBNJHYFVUHQT-UHFFFAOYSA-N
Canonical Smiles
C1COCCO1
Properties
Melting Point
12℃
Refractive Index
1.4205-1.422
Safety and Handling
Risk Statements
R11;R19;R36/37;R40;R66
Safety Statements
S16;S36/37;S46;S9
HazardClass
3
Hazard Note
H225; H319; H335; H351
PackingGroup
II
Transport
UN 1165
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 1000PLUS view >
Registered companies:
Registrant / Supplier details Latest dossier received
BASF SE 2012
Merck KGaA 2013
NetSun EU B.V. 2015
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

Carcinogenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H319 Causes serious eye irritation

H335 May cause respiratory irritation

H351 Suspected of causing cancer

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

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

P264 Wash ... thoroughly after handling.

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

P271 Use only outdoors or in a well-ventilated area.

P201 Obtain special instructions before use.

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

Response

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

P370+P378 In case of fire: Use ... to extinguish.

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.

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

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

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

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

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:88.10512g/mol
  • Molecular Formula:C11H6N4OS
  • XLogP3-AA:_0.3
  • Exact Mass:88.05243
  • Monoisotopic Mass:88.05243
  • Complexity:26.5
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:18.5
  • 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
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Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • 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:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
 
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