Basic information
- Standard SMILES
Brc1ccsc1Br- InChIKey
ATRJNSFQBYKFSM-UHFFFAOYSA-N- Molecular formula
- C4H2Br2S
- Average molar mass
- 241.93 g/mol
- Monoisotopic mass
- 239.8244
Names & identifiers
- Preferred name
- 2,3-Dibromothiophene
- IUPAC
- 2,3-dibromothiophene
- English name
- 2,3-Dibromothiophene
- Molecular formula
- C4H2Br2S
- Molecular weight
- 241.93
Names & synonyms
2,3-Dibromothiophene3140-93-0Thiophene, 2,3-dibromo-EINECS 221-542-6NSC 99003ATRJNSFQBYKFSM-UHFFFAOYSA-DTXSID80185324RefChem:81579DTXCID90107815Thiophene, 2,3-dibromo-(8CI)Thiophene, 2,3-dibromo-(8CI)(9CI)221-542-6
Show more names
S0513AKOS 912572,3-DibromthiophenBUTTPARK 146\50-382,3-Dibromothiophene>2,3-Dibromothiophene 98%2,3-Dibromothiophene,97%
ATRJNSFQBYKFSM-UHFFFAOYSA-NInChI=1/C4H2Br2S/c5-3-1-2-7-4(3)6/h1-2H2,3-dibromo-thiophenedibromothiopheneMFCD00005418NSC-99003NSC99003Thiophene,3-dibromo-
Database identifiers
- CAS
3140-93-0- PubChem CID
- 76590
- DTXSID
DTXSID80185324- UNII
- WG6P33K5RT
- EC Number
- 221-542-6
- Nikkaji
- J80.647A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 66
Experimental & physicochemical properties
Kovats Retention Index1227；1227
Physicochemical properties
- Melting point
- -17.5 °C · -17.5°C
- Boiling point
- 218 · 218-219 °C (lit.)
- Density
- 2.137 g/mL · 2.137 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.632(lit.)
- Flash point
- 125 °F · 125 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- form
- liquid
- Specific Gravity
- 2.137 · 2.137
- color
- White to Yellow to Green
- Sensitive
- Light Sensitive
- BRN
- 107512 · 107512
- InChI
- InChI=1S/C4H2Br2S/c5-3-1-2-7-4(3)6/h1-2H
- InChIKey
- ATRJNSFQBYKFSM-UHFFFAOYSA-N
- SMILES
- C1(Br)SC=CC=1Br
- CAS DataBase Reference
- 3140 · 3140-93-0(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · Thiophene, 2,3-dibromo-(3140-93-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS06
- Signal word
- Danger
- Hazard statements
- 226 · H226-H301-H319
- Precautionary statements
- 210 · P210-P301+P310+P330-P305+P351+P338
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,F,Xi,T
- Risk Statements
- 10 · 10-36/37/38-20/21/22-36-25
- Safety Statements
- 23 · 23-24/25-36/37/39-26-16-36-45
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 3 · 3
- F
- 8 · 8
- Hazard Note
- Flammable/Irritant
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29349990 · 29349990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Flam. Liq. 3
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (91.7%): Flammable liquid and vapor [Warning Flammable liquids]；H301 (85.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (91.7%)；Acute Tox. 3 (85.4%)；Skin Irrit. 2 (16.7%)；Eye Irrit. 2A (97.9%)
Safety data
- F
- 8
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29349990
- risk_code
- 10-36/37/38-20/21/22-36-25
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- hazard_code
- Xn,F,Xi,T
- hazard_note
- Flammable/Irritant
- safety_code
- 23-24/25-36/37/39-26-16-36-45
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H301-H319
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Flam. Liq. 3
- Precautionary statements
- P210-P301+P310+P330-P305+P351+P338
Chemistry & industry
Applications
Uses2,3-Dibromothiophene (cas# 3140-93-0) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
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