Basic information
- Standard SMILES
NCc1cccc(Br)c1- InChIKey
SUYJXERPRICYRX-UHFFFAOYSA-N- Molecular formula
- C7H8BrN
- Average molar mass
- 186.05 g/mol
- Monoisotopic mass
- 184.98401
Names & identifiers
- Preferred name
- Benzenemethanamine, 3-bromo-
- IUPAC
- (3-bromophenyl)methanamine
- English name
- 3-Bromobenzylamine
- Molecular formula
- C7H8BrN
- Molecular weight
- 186.05
Names & synonyms
3-Bromobenzylamine10269-01-9Benzenemethanamine, 3-bromo-DTXSID70145457RefChem:563268DTXCID3067948679-024-4(3-bromophenyl)methanamine1-(3-BROMOPHENYL)METHANAMINEMFCD010261193-bromobenzyl amineM-BROMOBENZYLAMINE
Show more names
TIMTEC-BB SBB005796RARECHEM AL BW 00183-Bromobenzylamine >3-Bromobenzylamine 98%3-Bromobenzylamine,99%3-Bromobenzylamine, 97%3-Bromobenzenemethanamine
EN300-601574JH3-Bromo-benzylaminebenzylamine, 3-bromo-3-bromophenylmethylamine3-aminomethylbromobenzene(3-bromophenyl)methyl-amineSCHEMBL42450
Database identifiers
- CAS
10269-01-9- PubChem CID
- 457587
- DTXSID
DTXSID70145457- ChEMBL
CHEMBL139288- EC Number
- 679-024-4
- Nikkaji
- J358.834C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Physicochemical properties
- Boiling point
- 245 °C · 245°C(lit.)
- Density
- 1.48 g/ml · 1.48g/ml
- refractive index
- 1.584 · 1.584-1.586
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- Liquid
- pka
- 8.77 · 8.77±0.10(Predicted)
- color
- Clear colorless to yellow
- Water Solubility
- Slightly soluble in water.
- Sensitive
- Air Sensitive
- InChI
- InChI=1S/C7H8BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
- InChIKey
- SUYJXERPRICYRX-UHFFFAOYSA-N
- SMILES
- C1(CN)=CC=CC(Br)=C1
- CAS DataBase Reference
- 10269 · 10269-01-9(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a
- Hazard Codes
- C
- Risk Statements
- 34 · 34-21/22
- Safety Statements
- 45 · 45-36/37/39-26
- RIDADR
- 2735 · UN2735
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29214900 · 29214900
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 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 (16.7%)；Skin Corr. 1B (100%)；Eye Dam. 1 (16.7%)
Safety data
- ridadr
- UN2735
- hs_code
- 29214900
- risk_code
- 34-21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 45-36/37/39-26
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H318-H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a
Chemistry & industry
Applications
Uses3-Bromobenzylamine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agro chemicals, dyestuff.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海伟聂化工科技有限公司13046668259 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [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]
黄石精驰医药有限公司17771967576; 17771967576 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
苏州新瑞生物科技有限公司13401437572 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
南京化学试剂股份有限公司025-58369808 17895012682 · [email protected]
苏州思变化学技术有限公司0512-65617459 18915409046 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
越林试剂021-62960152 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海卓因生物科技有限公司021-61317773 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
Changzhou Fullone Chemical Co., Ltd.+86-13328197671 +86-13861172460 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
Related reactions
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