6-Chlorochromone

HCID 601989
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Basic information

CAS
33533-99-2
Standard SMILES
O=c1ccoc2ccc(Cl)cc12
InChIKey
VFZQATFTQAZCMO-UHFFFAOYSA-N
Molecular formula
C9H5ClO2
Average molar mass
180.59 g/mol
Monoisotopic mass
179.99780708

Names & identifiers

Preferred name
6-Chlorochromone
IUPAC
6-chlorochromen-4-one
English name
6-Chlorochromone
Molecular formula
C9H5ClO2
Molecular weight
180.59

Names & synonyms

6-Chlorochromone33533-99-26-chlorochromen-4-one6-Chloro-chromen-4-oneDTXSID203451226-Chloro-1-benzopyran-4(4H)-oneRefChem:104431DTXCID30296196801-231-7VFZQATFTQAZCMO-UHFFFAOYSA-N6-Chloro-4H-chromen-4-oneMFCD00191904
Show more names
6-Chlorochromone >6-CHLOROCHROMONE 97%6-chloro-1-benzopyran-4-one6-CHLORO-1-BENZOPYRAN-4(4 H)-ONE4H-1-Benzopyran-4-one, 6-chloro-JRH-00603, 6-Chloro-4H-chromen-4-one, 97%6-Chlorochromone (6-Chloro-4H-chromene-4-one)
6-Chloro-4H-1-benzopyran-4-oneSCHEMBL206945SCHEMBL365385orb30314286-Chloro-4H-chromen-4-one #HMS1661D21SBB081178AKOS000275966

Database identifiers

CAS
33533-99-2
PubChem CID
601989
DTXSID
DTXSID20345122
EC Number
801-231-7
Nikkaji
J1.114.895F

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

Melting point
136 · 136-138 °C(lit.)
Boiling point
290.9 · 290.9±40.0 °C(Predicted)
Density
1.399 · 1.399±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
form
powder to crystal
color
White to Orange to Green

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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 CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
3
hs_code
2932990090
risk_code
20/21/22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn

Chemistry & industry

Upstream & downstream products

Suppliers45 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126
Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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