기본 정보
- CAS
39191-07-6- 표준 SMILES
CNCc1cccc(Cl)c1- InChIKey
ZPNLAQVYPIAHTO-UHFFFAOYSA-N- 분자식
- C8H10ClN
- 평균 분자량
- 155.62 g/mol
- 단동위원소 질량
- 155.050177
이름 및 식별자
- 우선 이름
- Benzenemethanamine, 3-chloro-N-methyl-
- IUPAC
- 1-(3-chlorophenyl)-N-methylmethanamine
- 영어명
- 3-Chloro-N-methylbenzylamine
- 분자식
- C8H10ClN
- 분자량
- 155.62
이름 및 동의어
3-Chloro-N-methylbenzylamine1-(3-chlorophenyl)-N-methylmethanamineBenzenemethanamine, 3-chloro-N-methyl-N-(3-Chlorobenzyl)-N-methylaminen-methyl-3-chlorobenzylamine[(3-chlorophenyl)methyl](methyl)amineJE3Q5ZMA9Z3-Chloro-N-methylbenzenemethanamineEINECS 254-343-8(3-chlorobenzyl)methylamineDTXSID40681633-CHLOROBENZYL-N-METHYLAMINE
이름 더 보기
3-Chloro-NN-methylbenzylamine
((3-CHLOROPHENYL)METHYL)(METHYL)AMINERefChem:117599DTXCID403960339191-07-6MFCD000451941-(3-chlorophenyl)-N-methyl-methanamineN-Methyl-m-chlorobenzylamineJFJ
데이터베이스 식별자
- CAS
39191-07-6- PubChem CID
- 122721
- DTXSID
DTXSID4068163- ChEMBL
CHEMBL1178161- UNII
- JE3Q5ZMA9Z
- EC Number
- 254-343-8
- Nikkaji
- J261.331J
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 12 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 95
물리화학적 성질
- 끓는 점
- 97 °C/0.6 · 97 °C/0.6 mmHg (lit.)
- 밀도
- 1.072 g/mL · 1.072 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.5395(lit.)
- 인화점
- 115 °F · 115 °F
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 산도 계수 (pKa)
- 9.34 · 9.34±0.10(Predicted)
- InChI
- 1S/C8H10ClN/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3
- InChIKey
- ZPNLAQVYPIAHTO-UHFFFAOYSA-N
- SMILES
- CNCc1cccc(Cl)c1
- NIST
- N-methyl-m-chlorobenzylamine(39191-07-6)
- EPA
- 3 · Benzenemethanamine, 3-chloro-N-methyl- (39191-07-6)
안전 및 규제
GHS 분류
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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.
유해성 정보
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 1
- HS 번호
- 29214990
- risk_code
- 10-22-38-41
- hazard_code
- Xn
- safety_code
- 16-26-36/37/39
- 포장분류
- Ⅲ
- 위험 등급
- 3
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 3Skin Irrit. 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzenemethanamine, 3-chloro-N-methyl-: INACTIVE
상·하류 제품 정보
상류 원료
하류 제품
공급사63 곳
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