Basic information
- CAS
1746-25-4- Standard SMILES
Ic1nc(I)c(I)[nH]1- InChIKey
HIDCNJIBRZBEPN-UHFFFAOYSA-N- Molecular formula
- C3HI3N2
- Average molar mass
- 445.77 g/mol
- Monoisotopic mass
- 445.7274
Names & identifiers
- Preferred name
- 2,4,5-Triiodo-1H-imidazole
- IUPAC
- 2,4,5-triiodo-1H-imidazole
- English name
- 2,4,5-Triiodoimidazole
- Molecular formula
- C3HI3N2
- Molecular weight
- 445.77
Names & synonyms
2,4,5-Triiodo-1H-imidazole1746-25-42,4,5-Triiodoimidazole1H-Imidazole, 2,4,5-triiodo-DTXSID70169855RGW-809NSC-222411B39A7ADJ9JRefChem:442787DTXCID8092346812-603-3Imidazole, 2,4,5-triiodo-
Show more names
2,4,5-Triodoimidazole2,4,5-triiodo-imidazolTIANFU CHEM--2,4,5-Triiodoimidazole
MFCD00068812Imidazole,4,5-triiodo-1H-Imidazole,4,5-triiodo-BAA74625PS-10951C3HI3N2NSC 222411BRN 0115451
Database identifiers
- CAS
1746-25-4- PubChem CID
- 74459
- DTXSID
DTXSID70169855- UNII
- B39A7ADJ9J
- EC Number
- 812-603-3
- Nikkaji
- J40.900F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 88.6
Experimental & physicochemical properties
LogP2.78
Physicochemical properties
- Melting point
- 188 · 188-190°C
- Boiling point
- 459.2 · 459.2±50.0 °C(Predicted)
- Density
- 3.504 · 3.504±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- powder to crystal
- pka
- 6.89 · 6.89±0.10(Predicted)
- color
- White to Orange to Green
- InChI
- InChI=1S/C3HI3N2/c4-1-2(5)8-3(6)7-1/h(H,7,8)
- InChIKey
- HIDCNJIBRZBEPN-UHFFFAOYSA-N
- SMILES
- C1(I)NC(I)=C(I)N=1
- CAS DataBase Reference
- 1746 · 1746-25-4(CAS DataBase Reference)
- FDA UNII
- 39 A7ADJ9J · B39A7ADJ9J
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P405
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2811 · UN 2811 6.1/PG III
- RTECS
- 8680000 · NI8680000
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 2933299090 · 2933299090
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 2 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 CategoriesAcute Tox. 3 (50%)
Safety data
- rtecs
- NI8680000
- ridadr
- UN 2811 6.1/PG III
- hs_code
- 2933299090
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H301-H315-H319
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P405
Chemistry & industry
Applications
Usessuzuki reaction
Upstream & downstream products
Downstream products
Suppliers94 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
苏州申拓医药科技有限公司13911244683 18151949202 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
杭州东帆化学有限公司86-0571-85151182
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected]；[email protected]；[email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
越林试剂021-62960152 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
上海冬洋生物科技有限公司18657622632 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
山东宜仁药业有限公司531-87922518 15628888630 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海指月生物科技有限公司13918644899 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
郑州阿尔法化工有限公司0371-53778726 18003825608 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
河南安基化工科技有限公司17836913271 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
Xuzhou B&C Chemical Technology Co., Ltd+86-400-0516-021 +86-15190678838 · [email protected]
Related reactions
5 records
Compound notes
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