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3-(Aminomethyl)-5-bromopyridine

HCID 22992264
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
135124-70-8
Standard SMILES
NCc1cncc(Br)c1
InChIKey
OQUHYNMITHDQLD-UHFFFAOYSA-N
Molecular formula
C6H7BrN2
Average molar mass
187.04 g/mol
Monoisotopic mass
185.97926

Names & identifiers

Preferred name
3-(Aminomethyl)-5-bromopyridine
IUPAC
(5-bromo-3-pyridinyl)methanamine
English name
3-(Aminomethyl)-5-bromopyridine 97%
Molecular formula
C6H7BrN2
Molecular weight
187.04

Names & synonyms

3-(Aminomethyl)-5-bromopyridineRefChem:494085640-639-8(5-Bromopyridin-3-yl)methanamine135124-70-8(5-Bromo-3-pyridinyl)methylamine5-Bromo-3-pyridinemethylamine1-(5-BROMOPYRIDIN-3-YL)METHANAMINEMFCD06212876(5-bromo-3-pyridyl)methylamineCHEMBL61207453-(Aminomethyl)-5-bromopyridine 97per cent
Show more names
(5-Bromopyridin-3-yl)methylamine3-(Aminomethyl)-5-bromopyridine 97%3-(Aminomethyl)-5-bromopyridine 97%3-(Aminomethyl)-5-bromopyridine 95+%(5-bromopyridin-3-yl)methanamine - [B3293]
C-(5-BROMO-PYRIDIN-3-YL)-METHYLAMINE3-Pyridinemethanamine, 5-bromo-3-Aminomethyl-5-bromopyridine5-BROMO-3-PYRIDINEMETHANAMINE5-aminomethyl-3-bromopyridineSCHEMBL745600(5-bromo-3-pyridyl)methanamineDTXSID50629407

Database identifiers

CAS
135124-70-8
PubChem CID
22992264
DTXSID
DTXSID50629407
ChEMBL
CHEMBL6120745
EC Number
640-639-8

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
38.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
9
Formal charge
0
Complexity
87

Physicochemical properties

Boiling point
269.4 · 269.4±25.0 °C(Predicted)
Density
1.574 · 1.574±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
7.75 · 7.75±0.29(Predicted)
form
liquid
color
Red
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H312-H332
Precautionary statements
280 · P280
Hazard Codes
C
HS Code
2933399990 · 2933399990

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 · 5 items

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, 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.;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. 3 (33.3%);Acute Tox. 4 (66.7%);Acute Tox. 4 (33.3%);Skin Corr. 1B (33.3%);Eye Dam. 1 (33.3%);Acute Tox. 4 (66.7%)

Safety data

hs_code
2933399990
Signal word
Warning

Chemistry & industry

Suppliers100 total

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海英士奇生物科技有限公司18738393975 18738393975 · [email protected]
Aladdin Scientific[email protected]
上海康恩博科技有限公司(科小研试剂)400-1388-521 17673770086 · [email protected]
Hangzhou IKSChem Technology Co., Limited13625816949 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]

Related reactions

39 records
New reaction record
HRID 293444 reaction equation
HRID 293444As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 334476 reaction equation
HRID 334476As productuspto-grants-2014_11
HRID 334477 reaction equation
HRID 334477As reactantuspto-grants-2014_11
HRID 359679 reaction equation
HRID 359679As reactantuspto-grants-1991_03
HRID 359683 reaction equation
HRID 359683As reactantuspto-grants-1991_03
HRID 589456 reaction equation
HRID 589456As productuspto-grants-2016_01
HRID 589457 reaction equation
HRID 589457As reactantuspto-grants-2016_01
HRID 601105 reaction equation
HRID 601105As productuspto-grants-2011_03
Page 1 of 5

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Symbol(GHS)
GHS07
hazard_code
C
Hazard statements
H302-H312-H332
Precautionary statements
P280
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]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
安庆融创生物科技有限公司15001988657 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
北京零式京安科技有限责任公司10-61256048 13810278579 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
苏州启航生物科技有限公司18151111370
上海华思格医药科技有限公司13611612777 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
上海纳谦化学科技有限公司13598610367 0373-7129549 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
上海合寰化工科技有限公司18621911604 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
郑州萃智医药科技有限公司19943855286 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
济宁横渠生物技术有限公司18118824509 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
武汉沃轩科技有限公司13322067656 · [email protected]
上海超岚化工科技中心(原宁波市超明生物科技有限公司)13301662590 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]