Basic information
- CAS
507-16-4- Standard SMILES
O=S(Br)Br- InChIKey
HFRXJVQOXRXOPP-UHFFFAOYSA-N- Molecular formula
- Br2OS
- Average molar mass
- 207.87 g/mol
- Monoisotopic mass
- 205.80365982
Overview
Thionyl bromide is a chemical compound of bromine. Bromine is a halogen element with the symbol Br and atomic number 35. Diatomic bromine does not occur naturally, but bromine salts can be found in crustal rock. (L625)
Names & identifiers
- Preferred name
- Thionyl bromide
- IUPAC
- Sulfurous dibromide
- English name
- Thionyl bromide
- Molecular formula
- Br2OS
- Molecular weight
- 207.87
Names & synonyms
Show more names
Database identifiers
- CAS
507-16-4- PubChem CID
- 68176
- DTXSID
DTXSID0060143- UNII
- N6CU78B13T
- EC Number
- 208-064-3
- Nikkaji
- J2.613A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 29
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- -52 °C · -52 °C (lit.)
- Boiling point
- 48 °C/20 · 48 °C/20 mmHg (lit.)
- Density
- 2.683 g/mL · 2.683 g/mL at 25 °C (lit.)
- vapor pressure
- 10 mm · 10 mm Hg ( 31 °C)
- refractive index
- 20 · n20/D 1.675(lit.)
- Flash point
- 156 °C · 156°C
- storage temp.
- 2 · 2-8°C
- solubility
- Miscible with benzene, toluene and ether.
- form
- yellow liquid
- Specific Gravity
- 2.683 · 2.683
- color
- yellow liquid
- Water Solubility
- 2 O; · hydrolyzed by H2O; miscible with benzene, chloroform, CCl4 [MER06]
- Sensitive
- Moisture & Light Sensitive
- Merck
- 14 · 14,9347
- Dielectric constant
- 13 · 13.0(20℃)
- InChI
- 1S/Br2OS/c1-4(2)3
- InChIKey
- HFRXJVQOXRXOPP-UHFFFAOYSA-N
- SMILES
- BrS(Br)=O
- CAS DataBase Reference
- 507 · 507-16-4(CAS DataBase Reference)
- FDA UNII
- 6 CU78B13T · N6CU78B13T
- NIST Chemistry Reference
- Thionyl bromide(507-16-4)
- EPA Substance Registry System
- Thionyl bromide (507-16-4)
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 312 · H312+H332-H314
- Precautionary statements
- 261 · P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 14 · 14-20/21-34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3264 · UN 3264 8/PG 1
- WGK Germany
- 3 · 3
- F
- 8 · 8
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 4 DermalSkin · Acute Tox. 4 DermalSkin Corr. 1B
- Excepted Quantities
- Not Permitted as Excepted Quantity
Safety & regulation
GHS classification
GHS Classification
Danger
H312 (90.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards Summary
Hydrolyzed by water; A severe skin, eye, mucous membrane, and respiratory tract irritant; [Merck Index] Reacts violently with water; Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and pulmonary edema; [Alfa Aesar MSDS] See Thionyl fluoride and Thionyl chloride.
Toxicology
Treatment
EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.
Health Effects
Bromine vapour causes irritation and direct damage to the mucous membranes. Elemental bromine also burns the skin. The bromide ion is a central nervous system depressant and chronic exposure produces neuronal effects. This is called bromism and can result in central reactions reaching from somnolence to coma, cachexia, exicosis, loss of reflexes or pathologic reflexes, clonic seizures, tremor, ataxia, loss of neural sensitivity, paresis, papillar edema of the eyes, abnormal speech, cerebral edema, delirium, aggressiveness, and psychoses. (L625, L626, L627)
Toxicity Summary
Bromine is a powerful oxidizing agent and is able to release oxygen free radicals from the water in mucous membranes. These free radicals are also potent oxidizers and produce tissue damage. In additon, the formation of hydrobromic and bromic acids will result in secondary irritation. The bromide ion is also known to affect the central nervous system, causing bromism. This is believed to be a result of bromide ions substituting for chloride ions in the in actions of neurotransmitters and transport systems, thus affecting numerous synaptic processes. (L626, L627, A543)
Signs and Symptoms
Bromine vapour causes irritation and direct damage to the mucous membranes. Symptoms include lacrimation, rhinorrhoea, eye irritation with mucous secretions from the oropharyngeal and upper airways, coughing, dyspnoea, choking, wheezing, epistaxis, and headache. The bromide ion is a central nervous system depressant producing ataxia, slurred speech, tremor, nausea, vomiting, lethargy, dizziness, visual disturbances, unsteadiness, headaches, impaired memory and concentration, disorientation and hallucinations. This is called bromism. (L626, L627)
Safety data
- F
- 8
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3264 8/PG 1
- risk_code
- 14-20/21-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H312+H332-H314
- Excepted Quantities
- Not Permitted as Excepted Quantity
- Hazard Classifications
- Acute Tox. 4 DermalSkin Corr. 1B
- Precautionary statements
- P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Pharmacology
Metabolism/Metabolites
Bromine is mainly absorbed via inhalation, but may also enter the body through dermal contact. Bromine salts can be ingested. Due to its reactivity, bromine quickly forms bromide and may be deposited in the tissues, displacing other halogens. (L626)
Uses & manufacturing
Applications
UsesThionyl Bromide is used in the preparation of carbon nanotube-phosphorylcholine polymer composite used in blood condition.
Preparation methods
PreparationReaction of SO2 with Br2 in the presence of PCl3: 64 g. of SO2 is added to a mixture of 138 g. of PCl3 and 160 g. of Br2 , while the reactor is cooled. The yield, after fractional distillation, is 180 g. of SOBr2.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers51 total
Related reactions
Compound notes
Loading…