Basic information
- Standard SMILES
O=C(Cl)c1ccsc1- InChIKey
QTWBEVAYYDZLQL-UHFFFAOYSA-N- Molecular formula
- C5H3ClOS
- Average molar mass
- 146.6 g/mol
- Monoisotopic mass
- 145.9593134
Names & identifiers
- Preferred name
- 3-Thenoyl chloride
- IUPAC
- thiophene-3-carbonyl chloride
- English name
- 3-Thiophenecarbonyl chloride
- Molecular formula
- C5H3ClOS
- Molecular weight
- 146.59
Names & synonyms
3-Thiophenecarbonyl chloride41507-35-13-Thenoyl chlorideEINECS 255-420-9DTXSID40194391RefChem:505421DTXCID50116882255-420-9thiophene-3-carbonyl chloride3-ThiophenecarbonylchlorideMFCD001300903-Thiophenecarboxylic acid chloride
Show more names
AKOS 924973-Thienylcarbonylchloride3-Thiopheneformyl chloride3-(Chlorocarbonyl)thiophenehiophene-3-carbonylchlorideThiophene-3-carbonylchloride,97%Thiophene-3-carbonyl chloride 97%
thiophene-3-carboxylic acid chloride3-thienylcarbonyl chlorideEPT4LKL45Z3-CHLOROCARBONYLTHIOPHENEAT17064BP-10038CS-10914HYDROCOTARNINEHYDROBROMIDE
Database identifiers
- CAS
41507-35-1- PubChem CID
- 2776377
- DTXSID
DTXSID40194391- UNII
- EPT4LKL45Z
- EC Number
- 255-420-9
- Nikkaji
- J320.094I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Melting point
- 50 °C · 50 °C
- Boiling point
- 195.4 · 195.4±13.0 °C(Predicted)
- Density
- 1.391 · 1.391±0.06 g/cm3(Predicted)
- Flash point
- 51 ° · 51°(124°F)
- storage temp.
- 2 · 2-8°C
- form
- solid
- color
- White
- Sensitive
- Moisture Sensitive
- InChI
- InChI=1S/C5H3ClOS/c6-5(7)4-1-2-8-3-4/h1-3H
- InChIKey
- QTWBEVAYYDZLQL-UHFFFAOYSA-N
- SMILES
- C(Cl)(C1C=CSC=1)=O
- CAS DataBase Reference
- 41507 · 41507-35-1(CAS DataBase Reference)
- FDA UNII
- 4 LKL45Z · EPT4LKL45Z
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 228 · H228-H314
- Precautionary statements
- 210 · P210-P280-P305+P351+P338-P310
- Hazard Codes
- C,F
- Risk Statements
- 34 · 34-29-14-11
- Safety Statements
- 26 · 26-36/37/39-8-45-30-22
- RIDADR
- 3261 · 3261
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- HS Code
- 2934999090 · 2934999090
- Storage Class
- 4.1 B · 4.1B - Flammable solid hazardous materials
- Hazard Classifications
- 2 Skin · Flam. Sol. 2Skin Corr. 1B
- Limited Quantities
- 1 Kg · 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H228 (100%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 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 CategoriesFlam. Sol. 1 (100%)
Safety data
- wgk
- 3
- ridadr
- 3261
- hs_code
- 2934999090
- risk_code
- 34-29-14-11
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C,F
- safety_code
- 26-36/37/39-8-45-30-22
- hazard_class
- 8
- Storage Class
- 4.1B - Flammable solid hazardous materials
- Hazard statements
- H228-H314
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Flam. Sol. 2Skin Corr. 1B
- Precautionary statements
- P210-P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
Syntechem Co.,Ltd[email protected]
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Shangchem Co., Ltd.+86-21-68182121
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ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected]；[email protected]；[email protected]
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陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
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湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
湖北万业众诚化学试剂有限责任公司18671296875 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
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