Basic information
- CAS
29576-14-5- Standard SMILES
C/C=C/CBr- InChIKey
AVMHMVJVHYGDOO-NSCUHMNNSA-N- Molecular formula
- C4H7Br
- Average molar mass
- 135 g/mol
- Monoisotopic mass
- 133.97311232
Overview
See also: 2-Butene, 1-bromo- (annotation moved to).
Names & identifiers
- Preferred name
- 2-Butene, 1-bromo-, (2E)-
- IUPAC
- (E)-1-bromobut-2-ene
- English name
- CROTYL BROMIDE TECH. 85
- Molecular formula
- C4H7Br
- Molecular weight
- 135
Names & synonyms
29576-14-52-Butene, 1-bromo-, (2E)-(E)-1-Bromo-2-butene(2E)-1-bromobut-2-ene(2E)-1-Bromo-2-butene2-Butene, 1-bromo-, (E)-DTXSID20885457RefChem:467466DTXCID001024837629-607-4InChI=1/C4H7Br/c1-2-3-4-5/h2-3H,4H2,1H3/b3-2Crotyl bromide
Show more names
(E)-Crotyl bromidetrans-1-bromo-2-butene1-Bromo-trans-2-butene(e)-2-buten(E)-4-Bromo-2-butene
(E)-1-bromobut-2-enetrans-crotyl bromide4784-77-4MFCD00000248(E)-2-butenyl bromideE-crotyl bromide39616-19-82-Butene, 1-broMo-, (2Z)- (9CI)
Database identifiers
- CAS
29576-14-5、4784-77-4- PubChem CID
- 637532
- DTXSID
DTXSID20885457- EC Number
- 225-332-5、629-607-4
- Nikkaji
- J150.776A、J610F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 30.6
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -115.07 °C · -115.07°C (estimate)
- Boiling point
- 97 · 97-99 °C(lit.)
- Density
- 1.312 g/mL · 1.312 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.480(lit.)
- Flash point
- 11 °C · 11 °C
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in Deuterated Chloroform ,Dichloroemthane, Hexanes
- form
- Liquid
- color
- Clear light yellow to yellow-brown
- BRN
- 1361394 · 1361394
- InChI
- 1S/C4H7Br/c1-2-3-4-5/h2-3H,4H2,1H3/b3-2+
- InChIKey
- AVMHMVJVHYGDOO-NSCUHMNNSA-N
- SMILES
- [H]\C(C)=C(\[H])CBr
- EPA Substance Registry System
- 2 · 2-Butene, 1-bromo-, (2E)- (29576-14-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H319-H335
- Precautionary statements
- 210 · P210-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,Xi
- Risk Statements
- 11 · 11-36/37-36/37/38
- Safety Statements
- 16 · 16-26-27-36/37/39-37/39
- RIDADR
- 1993 · 1993
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 3.1 · 3.1
- PackingGroup
- II
- HS Code
- 29033990 · 29033990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger 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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Hazard information
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flam. Liq. 2 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1993
- hs_code
- 29033990
- risk_code
- 11-36/37-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi
- safety_code
- 16-26-27-36/37/39-37/39
- hazard_class
- 3.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H225-H315-H319-H335
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butene, 1-bromo-, (2E)-: INACTIVE
Applications
UsesCrotyl bromide is a general organic reagent that can be used in the total synthesis of biologically important natural products and their derivatives such as (+)-artemisinin, plakortone E and ()-horsfiline.It can also be used to prepare analogs of deoxycyclitols, pentopyranoses, 6-deoxyhexoses, hexoses and pseudo-indoxyl derivatives.
Upstream & downstream products
Upstream raw materials
Suppliers44 total
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[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]
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]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+86-13382787392 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
武汉海正工贸发展有限公司027-8866 0053/88660577/88660578
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [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]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [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+86-29-81139210 +86-17392587031 · [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]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
嘉兴市德亿化工有限公司86-0573-85866609 18367600069 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
湖南秉航新材料有限公司0731-85567275 19313119732 · [email protected]
上海右肯医药科技有限公司021-37910267 15821801668 · [email protected]
湖北摆渡化学有限公司027-59106051 13627137652 · [email protected]
湖北拓邦化工有限公司027-59106185 13986192185 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
上海先臣化工有限公司+86-021-64606569 +86-18049800532 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Henan Fengda Chemical Co., Ltd+86-371-86557731 +86-13613820652 · [email protected]
武汉裕清嘉衡药业有限公司027-83855382 15926260338 · [email protected]
Related reactions
4 records
Compound notes
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