Basic information
- CAS
99688-45-6- Standard SMILES
O=C1c2ccccc2C(=O)c2c1ccc1c2[nH]c2cc3c(=O)c4ccc5c6ccc7c(c6n(Cl)c6c(Cl)c(Cl)c(c3cc21)c4c56)C(=O)c1ccccc1C7=O- InChIKey
MKVMWBDILOTJKR-UHFFFAOYSA-N- Molecular formula
- C45H17Cl3N2O5
- Average molar mass
- 772 g/mol
- Monoisotopic mass
- 770.020305
Names & identifiers
- Preferred name
- Trichloro-12,24-dihydro-5H-naphtho(2,3-h)naphth(2'',3'':6',7')indolo(2',3':6,7)anthra(2,1,9-mna)acridine-5,10,13,18,25-pentone
- IUPAC
- 42,44,45-trichloro-19,42-diazadodecacyclo[25.18.2.02,22.04,20.05,18.08,17.010,15.024,46.028,41.031,40.033,38.043,47]heptatetraconta-1(45),2(22),3,5(18),6,8(17),10,12,14,20,24(46),25,27(47),28(41),29,31(40),33,35,37,43-icosaene-9,16,23,32,39-pentone
- English name
- trichloro-12,24-dihydro-5H-naphtho[2,3-h]naphth[2'',3'':6',7']indolo[2',3':6,7]anthra[2,1,9-mna]acridine-5,10,13,18,25-pentone
- Molecular formula
- C45H17Cl3N2O5
- Molecular weight
- 771.98588
Names & synonyms
EINECS 309-011-899688-45-6Trichloro-12,24-dihydro-5H-naphtho(2,3-h)naphth(2'',3'':6',7')indolo(2',3':6,7)anthra(2,1,9-mna)acridine-5,10,13,18,25-pentone5H-Naphtho(2,3-h)naphth(2'',3'':6',7')indolo(2',3':6,7)anthra(2,1,9-mna)acridine-5,10,13,18,25-pentone, trichloro-12,24-dihydro-MKVMWBDILOTJKR-UHFFFAOYSA-NPubChem ID: 44147486trichloro-12,24-dihydro-5H-naphtho[2,3-h]naphth[2'',3'':6',7']indolo[2',3':6,7]anthra[2,1,9-mna]acridine-5,10,13,18,25-pentone5H-Naphtho[2,3-h]naphth[2'', 3'':6',7']indolo[2',3':6,7]anthra[2,1,9-mna]acridine -5,10,13,18,25-pentone, trichloro-12,24-dihydro-
Database identifiers
- CAS
99688-45-6- PubChem CID
- 44147486
- EC Number
- 309-011-8
Properties
Computed structural properties
- XLogP
- 11
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,720
Physicochemical properties
- Density
- 1.54 · 1.54[at 20℃]
- Water Solubility
- 0 ng/L · 0ng/L at 25℃
- LogP
- 11.6 at · 11.6 at 25℃
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- REACH Registrations
- Active
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 5H-Naphtho[2,3-h]naphth[2'',3'':6',7']indolo[2',3':6,7]anthra[2,1,9-mna]acridine-5,10,13,18,25-pentone, trichloro-12,24-dihydro-
REACH registered substance: Trichloro-12,24-dihydro-5H-naphtho[2,3-h]naphth[2'',3'':6',7']indolo[2',3':6,7]anthra[2,1,9-mna]acridine-5,10,13,18,25-pentone (EC: 309-011-8)
Hazard Classes and CategoriesSkin Sens. 1B (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- REACH Registrations
- Active
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers2 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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