Spirobicromane

HCID 592148
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
3127-14-8
Standard SMILES
CC1(C)CC2(CC(C)(C)c3ccc(O)cc3O2)Oc2cc(O)ccc21
InChIKey
BWQOXWHQZXVXSD-UHFFFAOYSA-N
Molecular formula
C21H24O4
Average molar mass
340.4 g/mol
Monoisotopic mass
340.16745925

Names & identifiers

Preferred name
Spirobicromane
IUPAC
4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol
English name
Spirobicromane
Molecular formula
C21H24O4
Molecular weight
340.41

Names & synonyms

SpirobicromaneRefChem:888840678-481-73127-14-84,4,4',4'-Tetramethyl-2,2'-spirobi[chroman]-7,7'-diol4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diolMFCD001453204,4,4',4'-tetramethyl-3,3',4,4'-tetrahydro-2,2'-spirobi[[1]benzopyran]-7,7'-diol4,4,4',4'-Tetramethyl-2,2'-spirobicromane-7,7'-diolOprea1_460896SCHEMBL3362045SCHEMBL29392829
Show more names
Spirobicromane>SPIROBICROMANE ISO 9001：2015 REACH7,7'-Dihydroxy-4,4,4',4'-tetramethyl-2,2'-spirobichroman2,2'-Spirobi[2H-1-benzopyran]-7,7'-diol,3,3',4,4'-tetrahydro-4,4,4',4'-tetramethyl-
DTXSID10343778AKOS027320999AS-69334SY054468CS-0378003S0383Spirobicromane, inverted exclamation markO99%T72278

Database identifiers

CAS
3127-14-8
PubChem CID
592148
DTXSID
DTXSID10343778
EC Number
678-481-7
Nikkaji
J534.159K

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
58.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
25

Physicochemical properties

Melting point
200 °C · 200 °C
Boiling point
525.9 · 525.9±50.0 °C(Predicted)
Density
1.27 · 1.27±0.1 g/cm3(Predicted)
solubility
almost transparency in Methanol
form
powder to crystal
pka
9.58 · 9.58±0.60(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
2932.99.7000
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications

UsesSpirobicromane is used as a reactant in the preparation of polycarbonate resins and optical films.

Suppliers19 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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