Basic information
- CAS
1123-98-4- Standard SMILES
Fc1nc2ccccc2s1- InChIKey
QVWCHVAUHZEAAT-UHFFFAOYSA-N- Molecular formula
- C7H4FNS
- Average molar mass
- 153.18 g/mol
- Monoisotopic mass
- 153.00484847
Names & identifiers
- Preferred name
- 2-Fluorobenzothiazole
- IUPAC
- 2-fluoro-1,3-benzothiazole
- English name
- 2-Fluorobenzothiazole
- Molecular formula
- C7H4FNS
- Molecular weight
- 153.18
Names & synonyms
2-Fluorobenzothiazole1123-98-4EINECS 214-384-4DTXSID90149992RefChem:472617DTXCID0072483214-384-42-Fluoro-1,3-benzothiazole2-Fluorobenzo[d]thiazoleBenzothiazole, 2-fluoro-MFCD000472542-Benzothiazolyl Fluoride
Show more names
2-Fluorobenzothiazole>2-fluorobenzo[d]thiazole2-Fluorobenzothiazole99%2-Fluorobenzothiazole 99%2-Fluoro-1,3-benzothiazole 99%
2-Fluoro-benzothiazoleFLUOROBENZOTHIAZOLE5LKM8HMH9XSCHEMBL1572158SCHEMBL40098882-Fluoro-1,3-benzothiazole #GEO-01392SBB086921
Database identifiers
- CAS
1123-98-4- PubChem CID
- 70753
- DTXSID
DTXSID90149992- UNII
- 5LKM8HMH9X
- EC Number
- 214-384-4
- Nikkaji
- J203.360G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 211 · 211-212 °C(lit.)
- Density
- 1.323 g/mL · 1.323 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.585(lit.)
- Flash point
- 199 °F · 199 °F
- pka
- 0.57 · 0.57±0.10(Predicted)
- form
- liquid
- Specific Gravity
- 1.33 · 1.33
- color
- Clear, colourless
- BRN
- 971503 · 971503
- CAS DataBase Reference
- 1123 · 1123-98-4(CAS DataBase Reference)
- FDA UNII
- 5 LKM8HMH9X · 5LKM8HMH9X
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 302 · H302-H311-H315-H319-H332
- Precautionary statements
- 261 · P261-P280h-P305+P351+P338-P309-P310
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 2810 · 2810
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
- HS Code
- 29342080 · 29342080
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (13%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (13%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (89.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (13%)；Skin Irrit. 2 (97.8%)；Eye Irrit. 2 (97.8%)；Acute Tox. 4 (13%)；STOT SE 3 (89.1%)
Safety data
- wgk
- 3
- ridadr
- 2810
- hs_code
- 29342080
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- hazard_class
- 6.1
- packing_group
- II
- Hazard statements
- H302-H311-H315-H319-H332
- Precautionary statements
- P261-P280h-P305+P351+P338-P309-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers43 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
杭州东帆化学有限公司86-0571-85151182
苏州启航生物科技有限公司18151111370
上海旭晗化学科技有限公司15921303235 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
天津安浩生物科技有限公司[email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
武汉格莱菲医药科技有限公司18995639250
广州市金华大化学试剂有限公司020-84383047 · [email protected]
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]
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广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
JACS-郑州杰克斯化工产品有限公司0371-86259281 13223061139 · [email protected]
上海博拓生物科技有限公司16621358918 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
上海福鲤生物科技有限公司13136210870 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
4 records
Compound notes
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