Basic information
- CAS
14312-89-1- Standard SMILES
COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
JHROQORAJUWVCD-UHFFFAOYSA-N- Molecular formula
- C8H3F13O2
- Average molar mass
- 378.09 g/mol
- Monoisotopic mass
- 377.9925462
Names & identifiers
- Preferred name
- Methyl perfluoroheptanoate
- IUPAC
- methyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate
- English name
- METHYL PERFLUOROHEPTANOATE
- Molecular formula
- C8H3F13O2
- Molecular weight
- 378.09
Names & synonyms
Methyl perfluoroheptanoateDTXSID00335703RefChem:157992DTXCID1028679214312-89-1Methyl Tridecafluoroheptanoatemethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoateMFCD00153212Tridecafluoroheptanoic Acid Methyl EsterSCHEMBL497426Perfluoroheptanoic Acid Methyl EsterAKOS003789157
Show more names
Methylperfluoroheptanoate98%Methyl perfluoroheptanoate 98%MethylTridecafluoroheptanoate>Perfluoroheptanoic Acid Methyl EsterMETHYL PERFLUOROHEPTANOATE ISO 9001：2015 REACHHeptanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-, methyl ester
BS-44090SY050386DB-042665CS-0446238M1914NS00018773D91552F002277
Database identifiers
- CAS
14312-89-1- PubChem CID
- 526471
- DTXSID
DTXSID00335703- EC Number
- 670-452-7
- Nikkaji
- J454.503F
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 463
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 139 °C · 139°C
- Density
- 1.66 · 1.66
- refractive index
- 1.3022 · 1.3022
- InChI
- InChI=1S/C8H3F13O2/c1-23-2(22)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1H3
- InChIKey
- JHROQORAJUWVCD-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
- CAS DataBase Reference
- 14312 · 14312-89-1(CAS DataBase Reference)
- EPA Substance Registry System
- Methyl perfluoroheptanoate (14312-89-1)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
- Hazard Codes
- F
- RIDADR
- 1993 · UN 1993 3/PG III
- HazardClass
- FLAMMABLE
- PackingGroup
- III
- HS Code
- 29159000 · 29159000
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
H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (66.7%)
Safety data
- ridadr
- UN 1993 3/PG III
- hs_code
- 29159000
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- F
- hazard_class
- FLAMMABLE
- packing_group
- III
- Hazard statements
- H226
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers43 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
Hangzhou IKSChem Technology Co., Limited13625816949 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
常州布克化工有限公司13606129753 13775119556 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
Apeloa Pharmaceutical Co., Ltd.+86-0571-87635730 +8615858229168 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
广东顺奥化学试剂有限公司19928586137 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
北京迈瑞达科技有限公司010-82387566 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
中科双航化学（大连）有限公司+86-411-66858498 13941194417 · [email protected]
济南国辰泰富化工有限公司0531-88162029 13256661585 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
广州安纳医药科技有限公司020-86211473 13925088720 · [email protected]
ShangHai IKSChem Technology Co.,LTD+86-18337276608 · [email protected]
腾鸿（山东）新材料有限公司1555-2555846 18265060865 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
苏州众联汇创生物医药有限公司13222205691 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
2 records
Compound notes
Loading…