Basic information
- CAS
72814-84-7- Standard SMILES
O=C1OC2(c3cc(N=C=S)ccc31)c1cc(I)c(O)c(I)c1Oc1c2cc(I)c(O)c1I- InChIKey
KGIPESQZUJURRP-UHFFFAOYSA-N- Molecular formula
- C21H7I4NO5S
- Average molar mass
- 893 g/mol
- Monoisotopic mass
- 892.6224
Names & identifiers
- Preferred name
- Erythrosin B isothiocyanate, isomer II
- IUPAC
- 3',6'-dihydroxy-2',4',5',7'-tetraiodo-5-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one
- English name
- ERYTHROSIN B ISOTHIOCYANATE, ISOMER II
- Molecular formula
- C21H7I4NO5S
- Molecular weight
- 892.97
Names & synonyms
Erythrosin B isothiocyanate, isomer IIRefChem:591121620-871-672814-84-7Erythrosin isothiocyanate3',6'-dihydroxy-2',4',5',7'-tetraiodo-5-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-oneErythrosinbisothiocyanate,isomeriiDTXSID60276683DB-0556813',6'-Dihydroxy-2',4',5',7'-tetraiodo-6-isothiocyanato-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-oneEITCerythrosin B isothiocyanate
Show more names
EITC Erythrosin Isothiocyanate3',6'-dihydroxy-2',4',5',7'-tetraiodo-6-isothiocyanato-3H-spiro[isobenzofuran-1,9'-xanthen]-3-oneSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-6-isothiocyanato-
Database identifiers
- CAS
72814-84-7
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 796
Physicochemical properties
- Boiling point
- 710.5 · 710.5±60.0 °C(Predicted)
- Density
- 2.77 · 2.77±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Store at 2-8
- pka
- 7.17 · 7.17±0.20(Predicted)
- CAS DataBase Reference
- 72814 · 72814-84-7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H335-H332-H312
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-37/39
- HS Code
- 2929100090 · 2929100090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): 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 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2929100090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-37/39
- Hazard statements
- H319-H302-H315-H335-H332-H312
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
Chemistry & industry
Suppliers9 total
北京华美互利生物化工010-56205725 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Henan Bao Enluo International TradeCo.，LTD+86-17331933971 · [email protected]
上海腾渤医药科技有限公司021-54338626 18017892860 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
上海智乾生物科技有限公司[email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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