Basic information
- CAS
13565-08-7- Standard SMILES
O=C(Cl)/C=C/c1ccc(F)cc1- InChIKey
GLBIKPKWQDIQCJ-ZZXKWVIFSA-N- Molecular formula
- C9H6ClFO
- Average molar mass
- 184.59 g/mol
Names & identifiers
- Preferred name
- (E)-4-Fluorocinnamoyl chloride
- IUPAC
- (E)-3-(4-fluorophenyl)prop-2-enoyl chloride
- English name
- 4-Fluorocinnamoyl chloride 97
- Molecular formula
- C9H6ClFO
- Molecular weight
- 184.59
Names & synonyms
13565-08-7(E)-4-fluorocinnamoyl chlorideRefChem:2104424-Fluorocinnamoyl chloride(E)-3-(4-fluorophenyl)acryloyl chloride(2E)-3-(4-fluorophenyl)acryloyl chloride(2E)-3-(4-fluorophenyl)prop-2-enoyl chlorideMFCD03424740(E)-3-(4-fluorophenyl)prop-2-enoyl chloride(E)-3-(4-FLUORO-PHENYL)-ACRYLOYL CHLORIDE2-Propenoyl chloride, 3-(4-fluorophenyl)-, (2E)-BB 0259606
Show more names
p-fluorocinnamoyl chloride4-Fluorocinnamoyl chloride 974-FLUOROCINNAMOYL CHLORIDE 98+%3-(4-fluorophenyl)prop-2-enoyl chloride4-Fluorocinnamoyl Chloride Predominantly Trans4-FLUOROCINNAMOYL CHLORIDE 97 ISO 9001：2015 REACH4-FluorocinnaMoyl chloride 97%, predoMinantly trans
SCHEMBL1569383Trans-4-fluorocinnamoyl chlorideALBB-0117454-Fluorocinnamoyl chloride,predominanBBL015033STL197442AKOS005173510VS-04808
Database identifiers
- CAS
13565-08-7- PubChem CID
- 5706471
- EC Number
- 626-944-9
- Nikkaji
- J1.412.993F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 42 · 42-46 °C(lit.)
- Boiling point
- 90 °C0.1 · 90 °C0.1 mm Hg(lit.)
- Density
- 1.289 · 1.289±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- form
- solid
- InChI
- 1S/C9H6ClFO/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-6H/b6-3+
- InChIKey
- GLBIKPKWQDIQCJ-ZZXKWVIFSA-N
- SMILES
- [H]\C(=C(\[H])c1ccc(F)cc1)C(Cl)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319
- Precautionary statements
- 301 · P301+P310+P330-P302+P352-P305+P351+P338
- Hazard Codes
- T
- Risk Statements
- 25 · 25-34-36/38
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 2928 · UN 2928 6.1/PG 2
- WGK Germany
- 2 · 2
- HazardClass
- 6.1 · 6.1, 8
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2
- Limited Quantities
- 0.5 Kg · 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 2
- ridadr
- UN 2928 6.1/PG 2
- risk_code
- 25-34-36/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 26-36/37/39-45
- hazard_class
- 6.1, 8
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard statements
- H301-H315-H319
- Limited Quantities
- 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P301+P310+P330-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers47 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
北京大田丰拓化学技术有限公司13651141086 · [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]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
上海西陇生化科技有限公司021-52907766-8042
上海源叶生物科技有限公司13636370518 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
格莱斯兰德（天津）医药科技有限公司022-83705301 13752403750
山东西亚化学有限公司4009903999 13395398332 · [email protected]
河南久化生物科技有限公司15738884691 153248764872949584887 237654463 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海百舜生物科技有限公司021-37581181 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]
Aladdin Scientific[email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001
重庆卡兰医药有限公司[email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Guangzhou TongYi biochemistry technology Co.,LTD[email protected]
Related reactions
3 records
Compound notes
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