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6-Isopropyl-3-pyridazinone

HCID 23028147
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
570416-36-3
Standard SMILES
CC(C)c1ccc(=O)[nH]n1
InChIKey
VSGPZRODNMXSOC-UHFFFAOYSA-N
Molecular formula
C7H10N2O
Average molar mass
138.17 g/mol
Monoisotopic mass
138.07931295

Names & identifiers

Preferred name
6-Isopropyl-3-pyridazinone
IUPAC
3-propan-2-yl-1H-pyridazin-6-one
English name
3(2H)-Pyridazinone,6-(1-methylethyl)-
Molecular formula
C7H10N2O
Molecular weight
138.17

Names & synonyms

6-ISOPROPYL-3-PYRIDAZINONERefChem:543487970-610-86-Isopropylpyridazin-3(2H)-one570416-36-33-propan-2-yl-1H-pyridazin-6-one3(2H)-Pyridazinone,6-(1-methylethyl)-6-Isopropylpyridazin-3-olMFCD116165996-(propan-2-yl)-2,3-dihydropyridazin-3-one6-isopropyl-3(2H)-pyridazinone6-isopropyl-2H-pyridazin-3-one
Show more names
6-(1-Methylethyl)-3(2H)-pyridazinone
SCHEMBL1581790SCHEMBL99747593-isopropyl-1H-pyridazin-6-oneDTXSID90629901VSGPZRODNMXSOC-UHFFFAOYSA-N6-isopropyl-3 (2H)-pyridazinoneAKOS0096067576-(Propan-2-yl)pyridazin-3(2H)-one

Database identifiers

CAS
570416-36-3
PubChem CID
23028147
DTXSID
DTXSID90629901
EC Number
970-610-8

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
41.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
Formal charge
0
Complexity
204

Physicochemical properties

storage temp.
2 · 2-8°C
Appearance
White to off-white Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338
HS Code
2933998090 · 2933998090

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 · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.

Safety data

hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers41 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+86-13382787392 · [email protected]
上海悦耳化学品有限公司+86-021-50890968,021-50891159 +86-18601776121
常州宣叶科技有限公司15195022192 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
贵州易妥化学科技有限公司18628235590 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
上海威芬奇医药科技有限公司13817485796 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
上海超岚化工科技中心(原上海巢莱)0-2022843681 15618226720 · [email protected]
上海人兮科技有限公司021-67759270 17717059219 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
成都福柯斯医药技术有限公司028-64950838 17340131597 · [email protected]
成都爱斯特化学技术有限公司15928766785 15928766785 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
聿锦(天津)科技有限公司13370351217 kungfu1217@1 · [email protected]
上海京河医药科技有限公司21-13482015261-883 13482015261 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
武汉永利源医药科技有限公司15927337358 · [email protected]
青岛浩海安杰医药科技有限公司156-6622-8711 18639325623 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
江苏乾宇分子科技有限公司18136353590; 18136353590 · [email protected]
Shanghai Rlavie Technology Co ltd+86-021-67759270 +86-17717059219 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
南通普悦生物医药有限公司0513-0513-0513-89158300 18014392889 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
南京沃格尼化工有限公司15996452985 · [email protected]
成都睿和德医药科技有限公司17381862311; 17381862311 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]

Related reactions

10 records
New reaction record
HRID 207986 reaction equation
HRID 207986As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 535474 reaction equation
HRID 535474As productuspto-grants-2014_10
HRID 535476 reaction equation
HRID 535476As reactantuspto-grants-2014_10
HRID 1042003 reaction equation
HRID 1042003As productuspto-grants-2013_10
HRID 1042005 reaction equation
HRID 1042005As reactantuspto-grants-2013_10
HRID 1160764 reaction equation
HRID 1160764As productuspto-grants-2010_10
HRID 1160765 reaction equation
HRID 1160765As reactantuspto-grants-2010_10
HRID 1946448 reaction equation
HRID 1946448As productuspto-grants-2013_03
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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes