Basic information
- CAS
7126-39-8- Standard SMILES
O=Cc1cc[nH]c1- InChIKey
CHNYVNOFAWYUEG-UHFFFAOYSA-N- Molecular formula
- C5H5NO
- Average molar mass
- 95.1 g/mol
- Monoisotopic mass
- 95.03711378
Names & identifiers
- Preferred name
- 1H-pyrrole-3-carboxaldehyde
- IUPAC
- 1H-pyrrole-3-carbaldehyde
- English name
- Pyrrole-3-carboxaldehyde
- Molecular formula
- C5H5NO
- Molecular weight
- 95.1
Names & synonyms
Pyrrole-3-carboxaldehyde1H-pyrrole-3-carboxaldehydeRefChem:439220811-926-71H-pyrrole-3-carbaldehyde7126-39-8PYRROLE-3-CARBALDEHYDE3-FormylpyrroleMFCD034267333-formyl-pyrrolePyrrol-3-aldehydepyrrole-3-aldehyde
Show more names
AURORA KA-64633-Formyl-1H-pyrrole3-PyrrolecarboxaldehydePyrrole-3-carboxaldehyde,97%Morpholine,4-(8-bromopropyl)-1H-Pyrrole-3-carboxaldehyde 95%
DTXSID40348716AC-4315PS-9356P2728EN300-85521Z1154253206Pyrrole-3-carboxaldehyde; 1H-Pyrrole-3-carboxaldehydeBCP05260
Database identifiers
- CAS
7126-39-8- PubChem CID
- 640308
- DTXSID
DTXSID40348716- EC Number
- 811-926-7
- Nikkaji
- J740.524C
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 72.5
Physicochemical properties
- Melting point
- 65 · 65-68℃
- Boiling point
- 238.3 · 238.3±13.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- soluble in Chloroform, Methanol
- form
- powder to crystal
- pka
- 15.5 · 15.50±0.50(Predicted)
- color
- White to Brown
- Sensitive
- Air Sensitive
- Stability
- Air Sensitive
- InChI
- InChI=1S/C5H5NO/c7-4-5-1-2-6-3-5/h1-4,6H
- InChIKey
- CHNYVNOFAWYUEG-UHFFFAOYSA-N
- SMILES
- N1C=CC(C=O)=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
- HS Code
- 2933998090 · 2933998090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2933998090
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 36/37
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesPyrrole-3-carboxaldehyde is used as a starting material in the synthesis of the macrotricyclic part of roseophilin, a novel cytotoxic antibiotic.
Upstream & downstream products
Downstream products
Suppliers100 total
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
zhangjiagang vinsce bio-pharm. limited.86-512-58389969 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海浦洛凯医药科技有限公司17269768198 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
常州环灵化工有限公司89803005 18206112582 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
武汉永璨生物科技有限公司17702719238 · [email protected]
重庆科脉材料科技有限公司17830741407 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
上海舒盟医药科技有限公司021-54540637 18621091017 · [email protected]
希仕化工科技(上海)有限公司021-60499358 13661956116
上海拓朴医药科技有限公司+86 (21) 5196-9732
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
上海纳谦化学科技有限公司13598610367 0373-7129549 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
上海偕腾生物科技有限公司+86-021-58975553 · [email protected]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
武汉市罗氏科技发展有限公司18986168071; 18986168071 · [email protected]
上海宸香医药科技有限公司021-20960837 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
湖北丽都新材料科技有限公司19307245857 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
天津安浩生物科技有限公司[email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
Related reactions
34 records
Compound notes
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