Basic information
- CAS
19713-89-4- Standard SMILES
Cc1c[nH]c(C=O)c1C- InChIKey
LRJDGBKOYYAJJF-UHFFFAOYSA-N- Molecular formula
- C7H9NO
- Average molar mass
- 123.15 g/mol
- Monoisotopic mass
- 123.06841391
Names & identifiers
- Preferred name
- 3,4-dimethyl-1H-pyrrole-2-carboxaldehyde
- IUPAC
- 3,4-dimethyl-1H-pyrrole-2-carbaldehyde
- English name
- 3,4-Dimethyl-1H-pyrrole-2-carboxaldehyde
- Molecular formula
- C7H9NO
- Molecular weight
- 123.15
Names & synonyms
3,4-dimethyl-1H-pyrrole-2-carboxaldehydeDTXSID40342193RefChem:1065791DTXCID002932733,4-Dimethyl-1H-pyrrole-2-carbaldehyde19713-89-43,4-dimethylpyrrole-2-carbaldehydeMFCD000303441H-Pyrrole-2-carboxaldehyde, 3,4-dimethyl-2-formyl-3,4-dimethylpyrroleSCHEMBL2673489ALBB-021009
Show more names
STK6749663,4-Dimethylpyrrole-2-carboxaldehydeAKOS004911195PB21628NCGC00338621-01AS-34914ST076678SY087021
Database identifiers
- CAS
19713-89-4- PubChem CID
- 579626
- DTXSID
DTXSID40342193- EC Number
- 118-917-0
- Nikkaji
- J1.751.191B
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Melting point
- 133 °C · 133 °C
- Boiling point
- 244.1 · 244.1±35.0 °C(Predicted)
- Density
- 1.099 · 1.099±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 15.8 · 15.80±0.50(Predicted)
- Appearance
- yellow solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
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
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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Suppliers17 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
湖州澄博生物科技有限公司13626726938
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
Related reactions
21 records
Compound notes
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