(2H)Benzene
Basic information
- CAS
1120-89-4- Standard SMILES
[2H]c1ccccc1- InChIKey
UHOVQNZJYSORNB-MICDWDOJSA-N- Molecular formula
- C6H6
- Average molar mass
- 79.12 g/mol
- Monoisotopic mass
- 79.05322694
Names & identifiers
- Preferred name
- (2H)Benzene
- IUPAC
- deuteriobenzene
- English name
- Benzene-d1
- Molecular formula
- C6H5D
- Molecular weight
- 79.12
Names & synonyms
(2H)Benzene1120-89-4Benzene-d[2H]benzeneEINECS 214-321-0DTXSID50149812RefChem:396699DTXCID5072303214-321-0deuteriobenzeneBenzene-d1deuterobenzene
Show more names
(1-2H)BenzeneBENZENE DBENZENE-D, 98+%BENZENE-D 98 PLUS %Benzene,DeuterobenzeneBenzene-D >98.0 Atom % DBenzene-d 97 atom % D, 99% (CP)
(?H)benzene(~2~H)BenzeneDEUTERO BENZENESCHEMBL211979SCHEMBL2491648SCHEMBL15954985SCHEMBL17140858BENZENE (D1, 98%)
Database identifiers
- CAS
1120-89-4- PubChem CID
- 123097
- DTXSID
DTXSID50149812- EC Number
- 214-321-0
- Nikkaji
- J203.351H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 15.5
Physicochemical properties
- Melting point
- 5.5 °C · 5.5 °C (lit.)
- Boiling point
- 80 °C · 80 °C (lit.)
- Density
- 0.885 g/mL · 0.885 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.498(lit.)
- Flash point
- 12 °F · 12 °F
- InChI
- 1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D
- InChIKey
- UHOVQNZJYSORNB-MICDWDOJSA-N
- SMILES
- [2H]c1ccccc1
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 12 · NA.12
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H304-H315-H319-H340-H350-H372-H412
- Precautionary statements
- 210 · P210-P273-P301+P310-P303+P361+P353-P305+P351+P338-P331
- target organs
- Blood
- Hazard Codes
- F,T
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P318, P319, P321, P331, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 1114 3/PG 2
- risk_code
- 45-46-11-36/38-48/23/24/25-65
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- hazard_code
- F,T
- safety_code
- 53-45
- Storage Class
- 3 - Flammable liquids
- target organs
- Blood
- Hazard statements
- H225-H304-H315-H319-H340-H350-H372-H412
- Hazard Classifications
- Aquatic Chronic 3Asp. Tox. 1Carc. 1AEye Irrit. 2Flam. Liq. 2Muta. 1BSkin Irrit. 2STOT RE 1
- Precautionary statements
- P210-P273-P301+P310-P303+P361+P353-P305+P351+P338-P331
Chemistry & industry
Applications
Uses- Environmental monitoring applications- Advanced materials research and development- Chemical synthesis of labeled compounds- reaction mechanism investigations
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…