Thiophene, 2,3,5-tribromo-

HCID 76592CAS 3141-24-0

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Basic information

Standard SMILES: Brc1cc(Br)c(Br)s1
InChIKey: SKDNDSLDRLEELJ-UHFFFAOYSA-N
Molecular formula: C4HBr3S
Average molar mass: 320.83 g/mol
Monoisotopic mass: 317.73491

Names & identifiers

Preferred name: Thiophene, 2,3,5-tribromo-
IUPAC: 2,3,5-tribromothiophene
English name: 2,3,5-Tribromothiophene
Molecular formula: C4HBr3S
Molecular weight: 320.83

Names & synonyms

2,3,5-Tribromothiophene3141-24-0Thiophene, 2,3,5-tribromo-EINECS 221-544-7NSC 263503AI3-62838DTXSID8062862RefChem:897878DTXCID3038357221-544-7C4HBr3SMFCD00014521

Show more names

S05072,3,5-Tribromothiop2,3,5-Tribromothioph2,3,5-Triibromothiophn2,3,5-tribromo-thiophen2,3,5-TribromothiophenemThiophene,2,3,5-tribromo-2,3,5-Tribromothiophene,98%

NSC-263503NSC2635032,5-TribromothiopheneHX5MEU6VFTThiophene,3,5-tribromo-2,3,5-Triibromothiophene2,3,5-tribromo thiophene2,3,5-Tribromo-thiophene

Database identifiers

CAS: 3141-24-0
PubChem CID: 76592
DTXSID: DTXSID8062862
UNII: HX5MEU6VFT
EC Number: 221-544-7
Nikkaji: J25.466E

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 87

Physicochemical properties

Melting point: 25 · 25-28 °C (lit.)
Boiling point: 120 °C/11 · 120 °C/11 mmHg (lit.)
Density: 2.483 g/mL · 2.483 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.664(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
form: solid
Specific Gravity: 2.483 · 2.483
color: White or Colorless to Yellow
BRN: 111486 · 111486
InChI: InChI=1S/C4HBr3S/c5-2-1-3(6)8-4(2)7/h1H
InChIKey: SKDNDSLDRLEELJ-UHFFFAOYSA-N
SMILES: C1(Br)SC(Br)=CC=1Br
CAS DataBase Reference: 3141 · 3141-24-0(CAS DataBase Reference)
FDA UNII: 5 MEU6VFT · HX5MEU6VFT
EPA Substance Registry System: 2 · Thiophene, 2,3,5-tribromo- (3141-24-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Warning
Hazard statements: 302 · H302-H312-H331-H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338-P304+P340-P405-P501a
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 36 · 36/37/39-26
RIDADR: 2929 · UN 2929 6.1/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29349990 · 29349990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
ridadr: UN 2929 6.1/PG 2
hs_code: 29349990
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07,GHS06
hazard_code: Xn,Xi
safety_code: 36/37/39-26
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H312-H331-H302+H312+H332-H315-H319-H335
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P305+P351+P338-P304+P340-P405-P501a