Your company account is blocked and you cannot place orders. If you have questions, please contact your company administrator.

3-Bromophenyl Isothiocyanate - >95.0%(GC), high purity , CAS No.2131-59-1

  • ≥95%(GC)
Item Number
B140589
Grouped product items
SKUSizeAvailabilityPrice Qty
B140589-5g
5g
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$36.90
B140589-25g
25g
3
$113.90

Basic Description

Synonyms1-Bromo-3-isothiocyanatobenzene # | 3-Bromophenyl isothiocyanate, 97% | F2121-0330 | AKOS000212189 | 1-Bromo-3-isothiocyanatobenzene | 1-Bromo-3-isothiocyanato-benzene | EN300-15010 | SCHEMBL1020537 | FT-0613790 | BP-12889 | J-802109 | BRN 2081173 | Benze
Specifications & Purity≥95%(GC)
Storage TempArgon charged
Shipped InNormal
Product Description

3-Bromophenyl isothiocyanate has been used in the synthesis of: . (S)-N-[3-{N-(3-bromophenyl)-4-(3-fluorophenyl)piperazine]-1-carbothioamido}-2-oxooxazolidin-5-yl)methyl]acetamide . (S)-N-[3-{N-(3-bromophenyl)-4-(3-fluorophenyl)piperazine]-1-carboxyamido}-2-oxooxazolidin-5-yl)methyl]acetamide . (S)-N-[3-{N-(2-bromophenyl)-4-(3-fluorophenyl)piperazine]-1-carboxyamido}-2-oxooxazolidin-5-yl)methyl]acetamide

AI Insight

Names and Identifiers

IUPAC Name 1-bromo-3-isothiocyanatobenzene
INCHI InChI=1S/C7H4BrNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChi Key ZMGMGHNOACSMQN-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC(=C1)Br)N=C=S
Isomeric SMILES C1=CC(=CC(=C1)Br)N=C=S
WGK Germany 3
RTECS NX8350000
PubChem CID 16481
Molecular Weight 214.08
Beilstein 2081173
Reaxy-Rn 2081173

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot NumberCertificate TypeDateItem
C2329789Certificate of AnalysisNov 13, 2023 B140589
C2329790Certificate of AnalysisNov 13, 2023 B140589

Chemical and Physical Properties

SensitivityMoisture Sensitive
Refractive Index1.685
Flash Point(°F)>230°F
Flash Point(°C)>110℃
Boil Point(°C)255-256℃
Melt Point(°C)26 °C
Molecular Weight214.080 g/mol
XLogP34.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass212.925 Da
Monoisotopic Mass212.925 Da
Topological Polar Surface Area44.500 Ų
Heavy Atom Count10
Formal Charge0
Complexity154.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1

Safety and Hazards(GHS)

Pictogram(s) GHS08,   GHS05,   GHS07
Signal Danger
Hazard Statements

H315:Causes skin irritation

H319:Causes serious eye irritation

H335:May cause respiratory irritation

H314:Causes severe skin burns and eye damage

H302:Harmful if swallowed

H334:May cause allergy or asthma symptoms or breathing difficulties if inhaled

H312:Harmful in contact with skin

H332:Harmful if inhaled

Precautionary Statements

P261:Avoid breathing dust/fume/gas/mist/vapors/spray.

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

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

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

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

P405:Store locked up.

P501:Dispose of contents/container to ...

P264:Wash hands [and …] thoroughly after handling.

P260:Do not breathe dust/fume/gas/mist/vapors/spray.

P284:[In case of inadequate ventilation] Wear respiratory protection.

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

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

P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

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

P363:Wash contaminated clothing before reuse.

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

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

P330:Rinse mouth.

P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes.

P301+P317:IF SWALLOWED: Get medical help.

P305+P354+P338:IF IN EYES: Immediately rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing.

P317:Get emergency medical help.

P337+P317:If eye irritation persists: Get medical help.

P332+P317:If skin irritation occurs: Get medical help.

P302+P361+P354:IF ON SKIN: Take off Immediately all contaminated clothing. Immediately rinse with water for several minutes.

P316:Get emergency medical help immediately.

P319:Get medical help if you feel unwell.

P342+P316:If experiencing respiratory symptoms: Get emergence medical help immediately.

WGK Germany 3
RTECS NX8350000
Reaxy-Rn 2081173

Related Documents

Reviews

Customer Reviews

No reviews here yet. Be the first to write one!

References

1. Sunil Kumar Reddy Aaramadaka, Mrinal Kanthi Guha, Ganesh Prabhu, Suvarna Ganesh Kini, Magesh Vijayan,.  (2007-02-03)  Synthesis and evaluation of urea and thiourea derivatives of oxazolidinones as antibacterial agents..  Chemical & pharmaceutical bulletin,  55  ((2)): ( 236-240 ).  [PMID:17268095]

Solution Calculators