Basic information
- CAS
4704-77-2- Standard SMILES
OCC(O)CBr- InChIKey
SIBFQOUHOCRXDL-UHFFFAOYSA-N- Molecular formula
- C3H7BrO2
- Average molar mass
- 154.99 g/mol
- Monoisotopic mass
- 153.96294156
Overview
3-bromopropane-1,2-diol is a bromohydrocarbon.
Names & identifiers
- Preferred name
- 3-Bromo-1,2-propanediol
- IUPAC
- 3-bromopropane-1,2-diol
- English name
- 3-Bromo-1,2-propanediol
- Molecular formula
- C3H7BrO2
- Molecular weight
- 154.99
Names & synonyms
3-Bromo-1,2-propanediol3-Bromopropane-1,2-diol4704-77-2Monobromoglycerolalpha-Bromohydrin1,2-Propanediol, 3-bromo-Glycerol bromohydrinAS532NK8NECHEBI:18719DTXSID20963729RefChem:93259GlyTouCan:G40437FC
Show more names
α-Bromoglyceringlycerolbromohydrin3-bromo-2-propanediol3-BROMOPROPAN-1,2-DIOL3-Bromo-1,2-propandiol
DTXCID601021067G40437FC225-186-2Bromodeoxyglycerol1-Bromo-2,3-propanediol3-BromodeoxyglycerolMFCD00004711(RS)-3-bromo-1,2-propanediol
Database identifiers
- CAS
4704-77-2- PubChem CID
- 20827
- DTXSID
DTXSID20963729- ChEMBL
CHEMBL3276497- ChEBI
CHEBI:18719- UNII
- AS532NK8NE
- EC Number
- 225-186-2
- Nikkaji
- J25.789C
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 32
Physicochemical properties
- Boiling point
- 72 · 72-75 °C0.2 mm Hg(lit.)
- Density
- 1.771 g/mL · 1.771 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.518(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Viscous Liquid
- pka
- 13.07 · 13.07±0.20(Predicted)
- Specific Gravity
- 1.77 · 1.77
- color
- Clear colorless to yellow
- BRN
- 1719124 · 1719124
- InChI
- 1S/C3H7BrO2/c4-1-3(6)2-5/h3,5-6H,1-2H2
- InChIKey
- SIBFQOUHOCRXDL-UHFFFAOYSA-N
- SMILES
- OCC(O)CBr
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 532 NK8NE · AS532NK8NE
- EPA Substance Registry System
- 1 · 1,2-Propanediol, 3-bromo- (4704-77-2)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 1760 · UN 1760 8/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 3360000 · TY3360000
- F
- 8 · 8
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29055998 · 29055998
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- F
- 8
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- TY3360000
- ridadr
- UN 1760 8/PG 2
- hs_code
- 29055998
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Applications
UsesGlycerol kinase substrate specificity
UsesProtecting reagent for carbonyl functions.
Upstream & downstream products
Upstream raw materials
Suppliers63 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
重庆欣博曜生物科技有限公司19122915778 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海艾梯西生物科技有限公司18721763493
九江市尤利特医药科技有限公司792-3901125 13222993784 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
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]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [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]
Alfa Chemistry1-516-6625404 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
上海研易宝医药科技有限公司13661744693 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 400821072 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
Additional notes
DefinitionChEBI: 3-bromopropane-1,2-diol is a bromohydrocarbon.
Related reactions
53 records
Compound notes
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