Basic information
- CAS
2505-31-9- Standard SMILES
O=C=Nc1c(Cl)cc(Cl)cc1Cl- InChIKey
VDYWXVDWKFAUKE-UHFFFAOYSA-N- Molecular formula
- C7H2Cl3NO
- Average molar mass
- 222.5 g/mol
- Monoisotopic mass
- 220.920197
Names & identifiers
- Preferred name
- 2,4,6-Trichlorophenyl Isocyanate
- IUPAC
- 1,3,5-trichloro-2-isocyanatobenzene
- English name
- 2,4,6-TRICHLOROPHENYL ISOCYANATE
- Molecular formula
- C7H2Cl3NO
- Molecular weight
- 222.46
Names & synonyms
2,4,6-Trichlorophenyl isocyanate2505-31-9DTXSID20346614RefChem:82104DTXCID10297686623-215-7VDYWXVDWKFAUKE-UHFFFAOYSA-N1,3,5-Trichloro-2-isocyanatobenzeneBenzene, 1,3,5-trichloro-2-isocyanato-Isocyanic Acid 2,4,6-Trichlorophenyl Ester2,4,6-TrichlorophenylisocyanateMFCD00013845
Show more names
2,4,6-TrichlorophenylIsocyanate>1,3,5-trichloro-2-isocyanatobenzene2,4,6-Trichlorophenyl isocyanate 98%
2,4,6-trichlorobenzenisocyanate2,4,6-trichlorphenylisocyanatSCHEMBL10197092,4,6trichlorophenyl isocyanateSBB096360AKOS0091589861,3,5-trichloro-2-isocyanato-benzene1,3,5-Trichloro-2-isocyanatobenzene #
Database identifiers
- CAS
2505-31-9- PubChem CID
- 613574
- DTXSID
DTXSID20346614- EC Number
- 623-215-7
- Nikkaji
- J2.639.302G
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 64 · 64-67 °C(lit.)
- Boiling point
- 101 °C · 101°C 2mm
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- Flash point
- 101 °C/2mm · 101°C/2mm
- storage temp.
- Refrigerator
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- Sensitive
- Moisture Sensitive
- BRN
- 514678 · 514678
- CAS DataBase Reference
- 2505 · 2505-31-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H332-H315-H312-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
- Hazard Codes
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
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- wgk
- 3
- ridadr
- 2811
- hs_code
- 29291090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 22-26-36
- hazard_class
- 6.1
- packing_group
- II
- Hazard statements
- H319-H335-H332-H315-H312-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers44 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
陕西帕尼尔生物科技有限公司029-84385017-8007 17602929471 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
陕西瑞林帕尼尔生物科技有限公司029-86107037-8019 15332321378 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
西安康诺化工有限公司
Related reactions
9 records
Compound notes
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