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2-Chloro-3-fluoro-6-methoxybenzaldehyde

HCID 53407598
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1263378-40-0
Standard SMILES
COc1ccc(F)c(Cl)c1C=O
InChIKey
ZMHNXAZNZZEWIN-UHFFFAOYSA-N
Molecular formula
C8H6ClFO2
Average molar mass
188.58 g/mol
Monoisotopic mass
188.0040353

Names & identifiers

Preferred name
2-Chloro-3-fluoro-6-methoxybenzaldehyde
IUPAC
2-chloro-3-fluoro-6-methoxybenzaldehyde
English name
2-Chloro-3-fluoro-6-methoxybenzaldehyde
Molecular formula
C8H6ClFO2
Molecular weight
188.58

Names & synonyms

2-chloro-3-fluoro-6-methoxybenzaldehyde1263378-40-02-CHLORO-3-FLUORO-6-METHOXY-BENZALDEHYDEMFCD18432476Benzaldehyde, 2-chloro-3-fluoro-6-methoxy-SCHEMBL1358908ZMHNXAZNZZEWIN-UHFFFAOYSA-NDTXSID001280908AKOS023627251JS-5284SB32490DB-122074
Show more names
CS-0340582G10750F736127

Database identifiers

CAS
1263378-40-0
PubChem CID
53407598
DTXSID
DTXSID001280908
EC Number
161-510-8

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Formal charge
0
Complexity
165

Physicochemical properties

form
crystalline solid
color
Off-white to faint yellow
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
280 · P280-P302+P352-P362+P364
HS Code
2913000090 · 2913000090

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)

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
2913000090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P280-P302+P352-P362+P364

Chemistry & industry

Suppliers15 total

苏州施亚生物科技有限公司17715136450 · [email protected]
安徽合诺生物科技有限公司18455579438
杰达维(上海)医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
台州川旭医药科技有限公司[email protected] · [email protected]
西安峥豪生物科技有限责任公司19829389091 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
砌块化学科技(上海)有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海旺珐化工科技有限公司(安徽珐诺伊医药科技有限公司)13918479294 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
湖北省善乐兴生物科技有限公司18321145570 · [email protected]
誉通医药科技(苏州)有限公司0512-15851462628 15851462628 · [email protected]

Related reactions

7 records
New reaction record
HRID 281119 reaction equation
HRID 281119As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 958155 reaction equation
HRID 958155As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1541562 reaction equation
HRID 1541562As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2095619 reaction equation
HRID 2095619As reactantuspto-grants-2013_05
HRID 2095620 reaction equation
HRID 2095620As productuspto-grants-2013_05
HRID 2095628 reaction equation
HRID 2095628As reactantuspto-grants-2013_05
HRID 2095738 reaction equation
HRID 2095738As reactantuspto-grants-2013_05

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
珠海奥博凯生物医药技术有限公司
400-0628126 · [email protected]